3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide

C14H21ClN2O2S — CID 104963329

IUPAC3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-9-3-5-12(6-4-9)17-20(18,19)14-8-11(15)7-13(16)10(14)2/h7-9,12,17H,3-6,16H2,1-2H3
InChIKeyLVEFFMAQVFMWON-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.09
Rot. Bonds3

About 3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide

3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 104963329) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID104963329
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-9-3-5-12(6-4-9)17-20(18,19)14-8-11(15)7-13(16)10(14)2/h7-9,12,17H,3-6,16H2,1-2H3
InChIKeyLVEFFMAQVFMWON-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.09
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-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379325
3-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379774
3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
CID 79889241
3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 28545115
5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963333
3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 79885079
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
CID 82885175
5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide
CID 82885254
3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 114380201
3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide
CID 114379038
3-amino-5-chloro-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 114380295

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (CID 104963329) is 3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)NC1CCC(C)CC1.
What is the InChIKey of 3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is LVEFFMAQVFMWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-9-3-5-12(6-4-9)17-20(18,19)14-8-11(15)7-13(16)10(14)2/h7-9,12,17H,3-6,16H2,1-2H3.
What are the key properties of 3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 104963329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).