3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride

C13H15ClN2O2S — CID 134103318

IUPAC3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(NS(=O)(=O)c2cccc(N)c2)cc1.Cl
InChIInChI=1S/C13H14N2O2S.ClH/c1-10-5-7-12(8-6-10)15-18(16,17)13-4-2-3-11(14)9-13;/h2-9,15H,14H2,1H3;1H
InChIKeyJUWFHGIAHMECMX-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.80
Rot. Bonds3

About 3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride

3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride (PubChem CID 134103318) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
PubChem CID134103318
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(NS(=O)(=O)c2cccc(N)c2)cc1.Cl
InChIInChI=1S/C13H14N2O2S.ClH/c1-10-5-7-12(8-6-10)15-18(16,17)13-4-2-3-11(14)9-13;/h2-9,15H,14H2,1H3;1H
InChIKeyJUWFHGIAHMECMX-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-methyl-3-N-(4-methylphenyl)benzene-1,3-disulfonamide
CID 49186392
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 134108932
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-(4-methylphenyl)-3-nitrobenzenesulfonamide;hydrate
CID 90481492
3-amino-N-[3-chloro-4-(dimethylamino)phenyl]benzenesulfonamide
CID 61111543
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
3-amino-N-(2,1,3-benzoxadiazol-5-yl)benzenesulfonamide
CID 19691907
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride (CID 134103318) is 3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride is Cc1ccc(NS(=O)(=O)c2cccc(N)c2)cc1.Cl.
What is the InChIKey of 3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride?
The InChIKey is JUWFHGIAHMECMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S.ClH/c1-10-5-7-12(8-6-10)15-18(16,17)13-4-2-3-11(14)9-13;/h2-9,15H,14H2,1H3;1H.
What are the key properties of 3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride?
3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride has a molecular weight of 298.80 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 134103318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).