4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride

C14H17Cl2NO3S — CID 65371129

IUPAC4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NCC1CCCCC1)c1cc(S(=O)(=O)Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2NO3S/c15-13-7-6-11(21(16,19)20)8-12(13)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18)
InChIKeyQGKPXQXBEDCNQK-UHFFFAOYSA-N
MW350.27 g/mol
LogP3.58
Rot. Bonds4

About 4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride

4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65371129) has the molecular formula C14H17Cl2NO3S and a molecular weight of 350.27 g/mol. Its IUPAC name is 4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
PubChem CID65371129
Molecular FormulaC14H17Cl2NO3S
Molecular Weight350.27 g/mol
Exact Mass349.03
IUPAC Name4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NCC1CCCCC1)c1cc(S(=O)(=O)Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2NO3S/c15-13-7-6-11(21(16,19)20)8-12(13)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18)
InChIKeyQGKPXQXBEDCNQK-UHFFFAOYSA-N
XLogP3.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

4-chloro-3-(oxan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396604
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103
3-(cyclobutylmethylcarbamoyl)-4,5-dimethylbenzenesulfonyl chloride
CID 65370161
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372080
4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 81453179
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994086
4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65372937
2-chloro-N-[(3-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
CID 107415687
N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55612373

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride (CID 65371129) is 4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride is O=C(NCC1CCCCC1)c1cc(S(=O)(=O)Cl)ccc1Cl.
What is the InChIKey of 4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is QGKPXQXBEDCNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3S/c15-13-7-6-11(21(16,19)20)8-12(13)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18).
What are the key properties of 4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride?
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 350.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65371129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).