5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide

C14H15ClN2O2S — CID 28537891

IUPAC5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H15ClN2O2S/c1-9-3-5-11(15)7-13(9)17-20(18,19)14-8-12(16)6-4-10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyTYWNKDDSADSEJL-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.34
Rot. Bonds3

About 5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide

5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 28537891) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID28537891
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H15ClN2O2S/c1-9-3-5-11(15)7-13(9)17-20(18,19)14-8-12(16)6-4-10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyTYWNKDDSADSEJL-UHFFFAOYSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.34
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-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
CID 43604944
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 28528922
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
3-amino-N-(5-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256500
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
CID 43605236
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 83165893
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide (CID 28537891) is 5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is TYWNKDDSADSEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-3-5-11(15)7-13(9)17-20(18,19)14-8-12(16)6-4-10(14)2/h3-8,17H,16H2,1-2H3.
What are the key properties of 5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide?
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 28537891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).