5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride

C14H17ClFNO3S — CID 65396118

IUPAC5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
SMILESCC(NC(=O)c1ccc(F)c(S(=O)(=O)Cl)c1)C1CCCC1
InChIInChI=1S/C14H17ClFNO3S/c1-9(10-4-2-3-5-10)17-14(18)11-6-7-12(16)13(8-11)21(15,19)20/h6-10H,2-5H2,1H3,(H,17,18)
InChIKeyPKEOMCLIKKUAOR-UHFFFAOYSA-N
MW333.81 g/mol
LogP3.06
Rot. Bonds4

About 5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride

5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride (PubChem CID 65396118) has the molecular formula C14H17ClFNO3S and a molecular weight of 333.81 g/mol. Its IUPAC name is 5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
PubChem CID65396118
Molecular FormulaC14H17ClFNO3S
Molecular Weight333.81 g/mol
Exact Mass333.06
IUPAC Name5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
SMILESCC(NC(=O)c1ccc(F)c(S(=O)(=O)Cl)c1)C1CCCC1
InChIInChI=1S/C14H17ClFNO3S/c1-9(10-4-2-3-5-10)17-14(18)11-6-7-12(16)13(8-11)21(15,19)20/h6-10H,2-5H2,1H3,(H,17,18)
InChIKeyPKEOMCLIKKUAOR-UHFFFAOYSA-N
XLogP3.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65373055
2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65370751
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087
5-(1-cyclopropylethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 65370368
3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid
CID 81389280
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
N-(1-cyclohexylethyl)-3,4,5-trifluorobenzamide
CID 63189611
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432
3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide
CID 103222229
3-chloro-N-(1-cyclohexylethyl)-4-hydroxybenzamide
CID 62407060
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
3-bromo-5-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 81488328

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride (CID 65396118) is 5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride is CC(NC(=O)c1ccc(F)c(S(=O)(=O)Cl)c1)C1CCCC1.
What is the InChIKey of 5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride?
The InChIKey is PKEOMCLIKKUAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO3S/c1-9(10-4-2-3-5-10)17-14(18)11-6-7-12(16)13(8-11)21(15,19)20/h6-10H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride?
5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride has a molecular weight of 333.81 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65396118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).