3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride

C14H18ClNO3S — CID 114546480

IUPAC3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
SMILESCc1cc(C(=O)NC2CCC(C)C2)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H18ClNO3S/c1-9-3-4-12(6-9)16-14(17)11-5-10(2)7-13(8-11)20(15,18)19/h5,7-9,12H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyKCXRNPAAJIUHPR-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.84
Rot. Bonds3

About 3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride

3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 114546480) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
PubChem CID114546480
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
SMILESCc1cc(C(=O)NC2CCC(C)C2)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H18ClNO3S/c1-9-3-4-12(6-9)16-14(17)11-5-10(2)7-13(8-11)20(15,18)19/h5,7-9,12H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyKCXRNPAAJIUHPR-UHFFFAOYSA-N
XLogP2.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[(3-methylcyclohexyl)carbamoyl]benzenesulfonyl chloride
CID 65372277
3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide
CID 114549394
3-methyl-5-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82737601
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124
5-methyl-N-(3-methylcyclopentyl)furan-3-carboxamide
CID 114821709
3,5-dichloro-4-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114549918
3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride
CID 65368215
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride (CID 114546480) is 3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride is Cc1cc(C(=O)NC2CCC(C)C2)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is KCXRNPAAJIUHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-9-3-4-12(6-9)16-14(17)11-5-10(2)7-13(8-11)20(15,18)19/h5,7-9,12H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 315.82 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 114546480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).