3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride

C14H18ClNO3S — CID 110823497

IUPAC3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride
SMILESCN(C(=O)c1cccc(S(=O)(=O)Cl)c1)C1CCCCC1
InChIInChI=1S/C14H18ClNO3S/c1-16(12-7-3-2-4-8-12)14(17)11-6-5-9-13(10-11)20(15,18)19/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyKHXMVVSBPUBJBD-UHFFFAOYSA-N
MW315.82 g/mol
LogP3.02
Rot. Bonds3

About 3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride

3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 110823497) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride
PubChem CID110823497
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride
SMILESCN(C(=O)c1cccc(S(=O)(=O)Cl)c1)C1CCCCC1
InChIInChI=1S/C14H18ClNO3S/c1-16(12-7-3-2-4-8-12)14(17)11-6-5-9-13(10-11)20(15,18)19/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyKHXMVVSBPUBJBD-UHFFFAOYSA-N
XLogP3.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442993
N-cyclohexyl-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 46596766
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
3-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 27670732
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
CID 10611761
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride (CID 110823497) is 3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride is CN(C(=O)c1cccc(S(=O)(=O)Cl)c1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is KHXMVVSBPUBJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-16(12-7-3-2-4-8-12)14(17)11-6-5-9-13(10-11)20(15,18)19/h5-6,9-10,12H,2-4,7-8H2,1H3.
What are the key properties of 3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride?
3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 315.82 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 110823497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).