3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride

C14H17Cl2NO3S — CID 65372277

IUPAC3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1CCCC(NC(=O)c2cc(Cl)cc(S(=O)(=O)Cl)c2)C1
InChIInChI=1S/C14H17Cl2NO3S/c1-9-3-2-4-12(5-9)17-14(18)10-6-11(15)8-13(7-10)21(16,19)20/h6-9,12H,2-5H2,1H3,(H,17,18)
InChIKeyOPWQNUHUASBGFW-UHFFFAOYSA-N
MW350.27 g/mol
LogP3.58
Rot. Bonds3

About 3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride

3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65372277) has the molecular formula C14H17Cl2NO3S and a molecular weight of 350.27 g/mol. Its IUPAC name is 3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65372277
Molecular FormulaC14H17Cl2NO3S
Molecular Weight350.27 g/mol
Exact Mass349.03
IUPAC Name3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1CCCC(NC(=O)c2cc(Cl)cc(S(=O)(=O)Cl)c2)C1
InChIInChI=1S/C14H17Cl2NO3S/c1-9-3-2-4-12(5-9)17-14(18)10-6-11(15)8-13(7-10)21(16,19)20/h6-9,12H,2-5H2,1H3,(H,17,18)
InChIKeyOPWQNUHUASBGFW-UHFFFAOYSA-N
XLogP3.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide
CID 114549394
3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 114546480
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 43244106
2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 55042070
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
CID 43317913
2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28690168
3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369073

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride (CID 65372277) is 3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride is CC1CCCC(NC(=O)c2cc(Cl)cc(S(=O)(=O)Cl)c2)C1.
What is the InChIKey of 3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is OPWQNUHUASBGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3S/c1-9-3-2-4-12(5-9)17-14(18)10-6-11(15)8-13(7-10)21(16,19)20/h6-9,12H,2-5H2,1H3,(H,17,18).
What are the key properties of 3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride?
3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 350.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65372277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).