3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide

C13H13ClN2O2S — CID 18070649

IUPAC3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C13H13ClN2O2S/c1-9-12(14)6-3-7-13(9)16-19(17,18)11-5-2-4-10(15)8-11/h2-8,16H,15H2,1H3
InChIKeyJQQAMUFUOHSSKL-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.03
Rot. Bonds3

About 3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide

3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide (PubChem CID 18070649) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
PubChem CID18070649
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C13H13ClN2O2S/c1-9-12(14)6-3-7-13(9)16-19(17,18)11-5-2-4-10(15)8-11/h2-8,16H,15H2,1H3
InChIKeyJQQAMUFUOHSSKL-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

N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
CID 107318048
6-amino-5-chloro-N-(3-chloro-2-methylphenyl)pyridine-3-sulfonamide
CID 64606596
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258199
3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015
4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 51263313
5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629038
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide (CID 18070649) is 3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide?
The InChIKey is JQQAMUFUOHSSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-9-12(14)6-3-7-13(9)16-19(17,18)11-5-2-4-10(15)8-11/h2-8,16H,15H2,1H3.
What are the key properties of 3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide?
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide 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 3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 18070649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).