2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride

C13H14Cl3NO3S — CID 114551487

IUPAC2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1CCC(NC(=O)c2c(Cl)ccc(S(=O)(=O)Cl)c2Cl)C1
InChIInChI=1S/C13H14Cl3NO3S/c1-7-2-3-8(6-7)17-13(18)11-9(14)4-5-10(12(11)15)21(16,19)20/h4-5,7-8H,2-3,6H2,1H3,(H,17,18)
InChIKeyYIQKKNPKXLQWKC-UHFFFAOYSA-N
MW370.69 g/mol
LogP3.84
Rot. Bonds3

About 2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride

2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 114551487) has the molecular formula C13H14Cl3NO3S and a molecular weight of 370.69 g/mol. Its IUPAC name is 2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
PubChem CID114551487
Molecular FormulaC13H14Cl3NO3S
Molecular Weight370.69 g/mol
Exact Mass368.98
IUPAC Name2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1CCC(NC(=O)c2c(Cl)ccc(S(=O)(=O)Cl)c2Cl)C1
InChIInChI=1S/C13H14Cl3NO3S/c1-7-2-3-8(6-7)17-13(18)11-9(14)4-5-10(12(11)15)21(16,19)20/h4-5,7-8H,2-3,6H2,1H3,(H,17,18)
InChIKeyYIQKKNPKXLQWKC-UHFFFAOYSA-N
XLogP3.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.69
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(3-methylcyclopentyl)-3-sulfamoylbenzamide
CID 114551555
2,4-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65366806
3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
CID 107989487
6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 114540527
3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 114546480
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114542613
3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
CID 114550116
2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride
CID 65368290
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
cyclobutyl 2,6-dichloro-3-chlorosulfonylbenzoate
CID 65374146
2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370240
5-chloro-2-methyl-N-(3-methylcyclopentyl)-3-sulfamoylbenzamide
CID 114551529

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride (CID 114551487) is 2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride is CC1CCC(NC(=O)c2c(Cl)ccc(S(=O)(=O)Cl)c2Cl)C1.
What is the InChIKey of 2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is YIQKKNPKXLQWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3NO3S/c1-7-2-3-8(6-7)17-13(18)11-9(14)4-5-10(12(11)15)21(16,19)20/h4-5,7-8H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 370.69 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 114551487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).