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

C15H23ClN2O2S — CID 114379325

IUPAC3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(Cl)cc(N)c2C)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-3-11-4-6-13(7-5-11)18-21(19,20)15-9-12(16)8-14(17)10(15)2/h8-9,11,13,18H,3-7,17H2,1-2H3
InChIKeyVFOQROBHBRBTSF-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.48
Rot. Bonds4

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

3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide (PubChem CID 114379325) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide
PubChem CID114379325
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(Cl)cc(N)c2C)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-3-11-4-6-13(7-5-11)18-21(19,20)15-9-12(16)8-14(17)10(15)2/h8-9,11,13,18H,3-7,17H2,1-2H3
InChIKeyVFOQROBHBRBTSF-UHFFFAOYSA-N
XLogP3.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.48
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-(3-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379774
3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963329
3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
CID 79889241
3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide
CID 114379038
3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 114380201
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
5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
CID 61467171
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide
CID 106053111
3-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 114379022
3-amino-5-chloro-2-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 114379143

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide (CID 114379325) is 3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide is CCC1CCC(NS(=O)(=O)c2cc(Cl)cc(N)c2C)CC1.
What is the InChIKey of 3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide?
The InChIKey is VFOQROBHBRBTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-3-11-4-6-13(7-5-11)18-21(19,20)15-9-12(16)8-14(17)10(15)2/h8-9,11,13,18H,3-7,17H2,1-2H3.
What are the key properties of 3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide?
3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114379325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).