N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide

C13H13ClN2O2S — CID 112557510

IUPACN-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
SMILESCc1ccc(N)c(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C13H13ClN2O2S/c1-9-6-7-11(15)12(8-9)16-19(17,18)13-5-3-2-4-10(13)14/h2-8,16H,15H2,1H3
InChIKeyVZVUFENYKYTMES-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.03
Rot. Bonds3

About N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide

N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide (PubChem CID 112557510) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
PubChem CID112557510
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
SMILESCc1ccc(N)c(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C13H13ClN2O2S/c1-9-6-7-11(15)12(8-9)16-19(17,18)13-5-3-2-4-10(13)14/h2-8,16H,15H2,1H3
InChIKeyVZVUFENYKYTMES-UHFFFAOYSA-N
XLogP3.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.03
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-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 28528922
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795
N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
CID 43123342
N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661
N-(3-amino-4-pyridinyl)-2-chlorobenzenesulfonamide
CID 55147770
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
CID 60971720
3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79885869

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide (CID 112557510) is N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide is Cc1ccc(N)c(NS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide?
The InChIKey is VZVUFENYKYTMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-9-6-7-11(15)12(8-9)16-19(17,18)13-5-3-2-4-10(13)14/h2-8,16H,15H2,1H3.
What are the key properties of N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide?
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide has a molecular weight of 296.78 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 112557510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).