CAS 109903-35-7|1-(4-aminophenyl)-N-methylmethanesulfonamide|1-(4-aminophenyl)-N-methylmethanesulfonamide|(4-Aminophenyl)-N-methylmethanesulphonamide|4-Amino-N-methyl-alpha-toluenesulfonamide|4-氨基...

General Information

Structure

Molecular Formula

C₈H₁₂N₂O₂S

Molecular Mass

200.25808

Exact Mass

200.06194863

Charge

InChI

InChI=1S/C8H12N2O2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6,9H2,1H3

InChIKey

CIWNHTXCBHTWRV-UHFFFAOYSA-N

Canonic Smiles

CNS(=O)(=O)Cc1ccc(cc1)N

Isomeric Smiles

S(=O)(=O)(Cc1ccc(cc1)N)NC

Calculated Properties

JChem

Acid pKa

11.459515

H Acceptors

H Donor

LogD (pH = 5.5)

-0.28228763

LogD (pH = 7.4)

-0.26410788

Log P

-0.26383707

Molar Refractivity

52.4004

Polarizability

20.478249

Polar Surface Area

72.19

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1-(4-aminophenyl)-N-methylmethanesulfonamide

IUPAC Traditional name

1-(4-aminophenyl)-N-methylmethanesulfonamide

Synonyms

(4-Aminophenyl)-N-methylmethanesulphonamide4-氨基-N-甲基-alpha-甲苯磺胺4-Amino-N-methyl-alpha-toluenesulfonamide4-Amino-N-methyl-α-toluenesulfonamide4-(((Methylamino)sulfonyl)methyl)aniline4-Amino-N-methylbenzylsulfonamide4-Amino-N-methylβenzenemethanesulfonamide1-(4-Aminophenyl)-N-methylmethanesulfonamide4-Amino-N-methylbenzenemethanesulfonamide4-Amino-N-methylbenzenemethanesulfonamide4-氨基-N-甲基苯甲磺酰胺4-Amino-N-methyl-α-toluenesulfonamide4-氨基-N-甲基-α-甲苯磺酰胺

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

Beilstein Number

EC Number