CAS 121-30-2|Chloroaminophenamide|NSC 93772|Chloraminophenamide|4-Amino-6-chloro-m-benzenedisulfonamide|Idorese|Salamid|4-Amino-6-chloro-1,3-benzenedisulfonamide|salmid|4-Amino-6-chlorobenzene-1,3-d...

General Information

Structure

Molecular Formula

C₆H₈ClN₃O₄S₂

Molecular Mass

285.72842

Exact Mass

284.96447543

Charge

InChI

InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)

InChIKey

IHJCXVZDYSXXFT-UHFFFAOYSA-N

Canonic Smiles

Nc1cc(Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N

Isomeric Smiles

S(=O)(=O)(c1cc(S(=O)(=O)N)c(cc1N)Cl)N

Calculated Properties

JChem

Acid pKa

9.1929035

H Acceptors

H Donor

LogD (pH = 5.5)

-1.039652

LogD (pH = 7.4)

-1.0457361

Log P

-1.0395739

Molar Refractivity

59.879

Polarizability

24.235086

Polar Surface Area

146.34

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

SalamidChloroaminophenamideIdoreseNSC 93772Chloraminophenamide4-Amino-6-chloro-m-benzenedisulfonamide3-Chloro-4,6-disulfamoylanilineSalamide4-Amino-6-chloro-1,3-benzenedisulfonamide4-Amino-6-chlorobenzene-1,3-disulphonamide5-Chloro-2,4-disulfamoylaniline1-AMINO-3-CHLORO-4,6-BENZENEDISULFONAMIDE5-氯-2,4-二磺酰胺基苯胺4-Amino-6-chloro-1,3-benzenedisulfonamide4-Amino-6-chlorobenzene-1,3-disulfonamide3-Chloroaniline-4,6-disulfonamide4-氨基-6-氯-1,3-苯二磺酰胺4-氨基-6-氯-1,3-苯二磺酰胺

IUPAC name

4-amino-6-chlorobenzene-1,3-disulfonamide

IUPAC Traditional name

salmid

Names and Identifiers

Registration numbers

MDL Number

MFCD00007933

CAS Number

121-30-2

Beilstein Number

1083877