2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide

C13H14ClN3O2S — CID 115992284

IUPAC2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide
SMILESCc1ccc(Nc2cccc(S(N)(=O)=O)c2N)cc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-8-5-6-9(7-10(8)14)17-11-3-2-4-12(13(11)15)20(16,18)19/h2-7,17H,15H2,1H3,(H2,16,18,19)
InChIKeyITTZPRAXNJQQGK-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.62
Rot. Bonds3

About 2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide

2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide (PubChem CID 115992284) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide
PubChem CID115992284
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide
SMILESCc1ccc(Nc2cccc(S(N)(=O)=O)c2N)cc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-8-5-6-9(7-10(8)14)17-11-3-2-4-12(13(11)15)20(16,18)19/h2-7,17H,15H2,1H3,(H2,16,18,19)
InChIKeyITTZPRAXNJQQGK-UHFFFAOYSA-N
XLogP2.62
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(3-chloro-4-fluoroanilino)benzenesulfonamide
CID 115992341
1-N-(3,4-dimethylphenyl)-3-methylsulfonylbenzene-1,2-diamine
CID 82003242
2-amino-3-(2,6-dichloroanilino)benzenesulfonamide
CID 115992809
2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide
CID 53151390
2-amino-3-(2,3-dimethylanilino)benzenesulfonamide
CID 115992330
2-amino-3-(3-bromo-4-methoxyanilino)benzenesulfonamide
CID 115992812
2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide
CID 115992346
2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide
CID 115992915
3-chloro-1-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 113458519
2-amino-4-(2-methylanilino)benzenesulfonamide
CID 79466882
3-chloro-4-methyl-N-(2-nitrophenyl)aniline
CID 12710588
N-(3-chloro-4-methylphenyl)-3-fluoro-2-nitroaniline
CID 63549745

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide (CID 115992284) is 2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide is Cc1ccc(Nc2cccc(S(N)(=O)=O)c2N)cc1Cl.
What is the InChIKey of 2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide?
The InChIKey is ITTZPRAXNJQQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-8-5-6-9(7-10(8)14)17-11-3-2-4-12(13(11)15)20(16,18)19/h2-7,17H,15H2,1H3,(H2,16,18,19).
What are the key properties of 2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide?
2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide is sourced from PubChem (CID 115992284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).