2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride

C13H14Cl2FNO3S — CID 65372080

IUPAC2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
SMILESO=C(NCC1CCCC1)c1cc(S(=O)(=O)Cl)c(Cl)cc1F
InChIInChI=1S/C13H14Cl2FNO3S/c14-10-6-11(16)9(5-12(10)21(15,19)20)13(18)17-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,18)
InChIKeyPICHFWHVORLFOZ-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.33
Rot. Bonds4

About 2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride

2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride (PubChem CID 65372080) has the molecular formula C13H14Cl2FNO3S and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
PubChem CID65372080
Molecular FormulaC13H14Cl2FNO3S
Molecular Weight354.23 g/mol
Exact Mass353.01
IUPAC Name2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
SMILESO=C(NCC1CCCC1)c1cc(S(=O)(=O)Cl)c(Cl)cc1F
InChIInChI=1S/C13H14Cl2FNO3S/c14-10-6-11(16)9(5-12(10)21(15,19)20)13(18)17-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,18)
InChIKeyPICHFWHVORLFOZ-UHFFFAOYSA-N
XLogP3.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65397219
2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65370657
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
CID 65371129
2-bromo-3-(cyclobutylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65370737
cyclobutyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 65373948
2-chloro-4-fluoro-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65372295
4-chloro-3-(cyclopropylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 81453179
5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide
CID 65388548
4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 114146975
2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371090
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride (CID 65372080) is 2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride is O=C(NCC1CCCC1)c1cc(S(=O)(=O)Cl)c(Cl)cc1F.
What is the InChIKey of 2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The InChIKey is PICHFWHVORLFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FNO3S/c14-10-6-11(16)9(5-12(10)21(15,19)20)13(18)17-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,18).
What are the key properties of 2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride has a molecular weight of 354.23 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65372080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).