2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide

C14H15ClN2O2S — CID 60903343

IUPAC2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H15ClN2O2S/c1-10-4-2-3-5-11(10)9-17-20(18,19)14-7-6-12(15)8-13(14)16/h2-8,17H,9,16H2,1H3
InChIKeyAYCZHMVZVJYRHT-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.71
Rot. Bonds4

About 2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide

2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 60903343) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID60903343
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H15ClN2O2S/c1-10-4-2-3-5-11(10)9-17-20(18,19)14-7-6-12(15)8-13(14)16/h2-8,17H,9,16H2,1H3
InChIKeyAYCZHMVZVJYRHT-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.71
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

2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
CID 28524364
2-amino-5-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 60986102
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 82843640
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60904241
2-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970037
2-amino-4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391941
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 60903343) is 2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is AYCZHMVZVJYRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10-4-2-3-5-11(10)9-17-20(18,19)14-7-6-12(15)8-13(14)16/h2-8,17H,9,16H2,1H3.
What are the key properties of 2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 60903343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).