5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride

C15H20ClNO3S — CID 65367157

IUPAC5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
SMILESCc1cc(C(=O)NC2CCCCC2)cc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C15H20ClNO3S/c1-10-8-12(9-14(11(10)2)21(16,19)20)15(18)17-13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3,(H,17,18)
InChIKeyDZMFKKJMUUOMNL-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.29
Rot. Bonds3

About 5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride

5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride (PubChem CID 65367157) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
PubChem CID65367157
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
SMILESCc1cc(C(=O)NC2CCCCC2)cc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C15H20ClNO3S/c1-10-8-12(9-14(11(10)2)21(16,19)20)15(18)17-13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3,(H,17,18)
InChIKeyDZMFKKJMUUOMNL-UHFFFAOYSA-N
XLogP3.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
CID 65367549
2,3-dimethyl-5-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80716250
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205
2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 81294951
5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957
3-fluoro-2-methyl-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65370571
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride
CID 65368290
3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65397012
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride?
The IUPAC name of 5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride (CID 65367157) is 5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride is Cc1cc(C(=O)NC2CCCCC2)cc(S(=O)(=O)Cl)c1C.
What is the InChIKey of 5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride?
The InChIKey is DZMFKKJMUUOMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-10-8-12(9-14(11(10)2)21(16,19)20)15(18)17-13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride?
5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride has a molecular weight of 329.85 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 65367157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).