3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide

C14H15ClN2O2S — CID 43256506

IUPAC3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C14H15ClN2O2S/c1-9-5-12(16)8-13(6-9)20(18,19)17-14-4-3-11(15)7-10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyIYLLHKOIFZWUDM-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.34
Rot. Bonds3

About 3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide

3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide (PubChem CID 43256506) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
PubChem CID43256506
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C14H15ClN2O2S/c1-9-5-12(16)8-13(6-9)20(18,19)17-14-4-3-11(15)7-10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyIYLLHKOIFZWUDM-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

3-amino-N-(5-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256500
3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 43256385
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide
CID 43256407
4-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 62058293
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 107590901
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
3-amino-N-(2-bromo-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256314
3-amino-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 63321951
3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 43256286
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide
CID 60972705

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide (CID 43256506) is 3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of 3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide?
The InChIKey is IYLLHKOIFZWUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-5-12(16)8-13(6-9)20(18,19)17-14-4-3-11(15)7-10(14)2/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide?
3-amino-N-(4-chloro-2-methylphenyl)-5-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 3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 43256506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).