4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride

C13H18FNO4S2 — CID 114958186

IUPAC4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(S(=O)(=O)NCCC2CCCC2)cc1
InChIInChI=1S/C13H18FNO4S2/c14-20(16,17)12-5-7-13(8-6-12)21(18,19)15-10-9-11-3-1-2-4-11/h5-8,11,15H,1-4,9-10H2
InChIKeyHRJCCRKNJNYVOV-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.20
Rot. Bonds6

About 4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride

4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride (PubChem CID 114958186) has the molecular formula C13H18FNO4S2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride
PubChem CID114958186
Molecular FormulaC13H18FNO4S2
Molecular Weight335.42 g/mol
Exact Mass335.07
IUPAC Name4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(S(=O)(=O)NCCC2CCCC2)cc1
InChIInChI=1S/C13H18FNO4S2/c14-20(16,17)12-5-7-13(8-6-12)21(18,19)15-10-9-11-3-1-2-4-11/h5-8,11,15H,1-4,9-10H2
InChIKeyHRJCCRKNJNYVOV-UHFFFAOYSA-N
XLogP2.20
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60915978
4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958224
N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 60917467
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
CID 82843865
4-(2-cyclohexylethylamino)-N-ethylbenzenesulfonamide
CID 60920186
3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide
CID 115328855
4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 54932320
2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
CID 60734449
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
CID 115690444
4-amino-N-(2-cyclopentylethyl)-3-nitrobenzenesulfonamide
CID 60920840
4-(4,4,4-trifluorobutylsulfamoyl)benzenesulfonyl fluoride
CID 114958441
5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614203

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride?
The IUPAC name of 4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride (CID 114958186) is 4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride?
The canonical SMILES for 4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(S(=O)(=O)NCCC2CCCC2)cc1.
What is the InChIKey of 4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride?
The InChIKey is HRJCCRKNJNYVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S2/c14-20(16,17)12-5-7-13(8-6-12)21(18,19)15-10-9-11-3-1-2-4-11/h5-8,11,15H,1-4,9-10H2.
What are the key properties of 4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride?
4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride has a molecular weight of 335.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride is sourced from PubChem (CID 114958186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).