CAS 6152-67-6|DIPHENYLAMINE-4-SULFONIC ACID, ACS|4-(Phenylamino)benzenesulfonic acid sodium salt|potassium 4-(phenylamino)benzenesulfonate|sodium 4-(phenylamino)benzene-1-sulfonate|Sodium diphenylam...

General Information

Structure

Molecular Formula

C₁₂H₁₀NNaO₃S

Molecular Mass

271.26747

Exact Mass

271.02790847

Charge

InChI

InChI=1S/C12H11NO3S.Na/c14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h1-9,13H,(H,14,15,16);/q;+1/p-1

InChIKey

DGXTZMPQSMIFEC-UHFFFAOYSA-M

Canonic Smiles

[O-]S(=O)(=O)c1ccc(cc1)Nc1ccccc1.[Na+]

Isomeric Smiles

[Na+].[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1

Calculated Properties

JChem

Acid pKa

-3.1855903

H Acceptors

H Donor

LogD (pH = 5.5)

0.21769214

LogD (pH = 7.4)

0.21767968

Log P

0.9796707

Molar Refractivity

64.045

Polarizability

25.54941

Polar Surface Area

69.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-(Phenylamino)benzenesulfonic acid sodium saltDIPHENYLAMINE-4-SULFONIC ACID, ACSSodium diphenylamine-4-sulfonatep-DIPHENYLAMINESULFONIC ACID SODIUM SALTp-DIPHENYLAMINE SULFONIC ACID SODIUM SALT二苯胺-4-磺酸钠盐二苯胺-4-磺酸钠Diphenylamine-4-sulfonic acid sodium salt4-(苯氨基)苯磺酸钠盐Sodium diphenylamine-4-sulfonatesodium 4-(phenylamino)benzene-1-sulfonateSodium 4-(phenylamino)benzenesulfonate二苯胺-4-磺酸钠, ACSSodium diphenylamine-4-sulfonate, 0.005M solution in water二苯基氨基-4-磺酸钠, 0.005M水溶液Sodium diphenylamine-4-sulfonate, ACS

IUPAC Traditional name

potassium 4-(phenylamino)benzenesulfonate sodium 4-(phenylamino)benzenesulfonate

IUPAC name

sodium 4-(phenylamino)benzene-1-sulfonate

Names and Identifiers

Registration numbers

EC Number

228-165-6

CAS Number

6152-67-6

PubChem SID

1620924112485996724854595