5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride

C15H20ClNO3S — CID 65367205

IUPAC5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
SMILESCCc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C15H20ClNO3S/c1-2-11-8-9-12(10-14(11)21(16,19)20)15(18)17-13-6-4-3-5-7-13/h8-10,13H,2-7H2,1H3,(H,17,18)
InChIKeyYSGGLPVNULNFBH-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.24
Rot. Bonds4

About 5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride

5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride (PubChem CID 65367205) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
PubChem CID65367205
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
SMILESCCc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C15H20ClNO3S/c1-2-11-8-9-12(10-14(11)21(16,19)20)15(18)17-13-6-4-3-5-7-13/h8-10,13H,2-7H2,1H3,(H,17,18)
InChIKeyYSGGLPVNULNFBH-UHFFFAOYSA-N
XLogP3.24
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957
5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
CID 65367157
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227
cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate
CID 65397532
4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 65386263
4-chloro-N-cyclopentyl-3-(methylsulfamoyl)benzamide
CID 9213864
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396832
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 81294951
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride?
The IUPAC name of 5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride (CID 65367205) is 5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride.
What is the SMILES notation for 5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride?
The canonical SMILES for 5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride is CCc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride?
The InChIKey is YSGGLPVNULNFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-2-11-8-9-12(10-14(11)21(16,19)20)15(18)17-13-6-4-3-5-7-13/h8-10,13H,2-7H2,1H3,(H,17,18).
What are the key properties of 5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride?
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride has a molecular weight of 329.85 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride is sourced from PubChem (CID 65367205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).