5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride

C14H18ClNO4S — CID 65366957

IUPAC5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H18ClNO4S/c1-20-12-8-7-10(9-13(12)21(15,18)19)14(17)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyYXHPIIGIJDKMSO-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.69
Rot. Bonds4

About 5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride

5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride (PubChem CID 65366957) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
PubChem CID65366957
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H18ClNO4S/c1-20-12-8-7-10(9-13(12)21(15,18)19)14(17)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyYXHPIIGIJDKMSO-UHFFFAOYSA-N
XLogP2.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205
N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46556722
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide
CID 55346445
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185
3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide
CID 91250314
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride (CID 65366957) is 5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride is COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride?
The InChIKey is YXHPIIGIJDKMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-20-12-8-7-10(9-13(12)21(15,18)19)14(17)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17).
What are the key properties of 5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride?
5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride has a molecular weight of 331.82 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 65366957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).