2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide

C19H19FN2O2S — CID 42962447

IUPAC2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C19H19FN2O2S/c20-17-11-9-15(10-12-17)19(14-5-1-2-6-14)22-25(23,24)18-8-4-3-7-16(18)13-21/h3-4,7-12,14,19,22H,1-2,5-6H2
InChIKeyXNPVSWTXSBZQMC-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.91
Rot. Bonds5

About 2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide

2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 42962447) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID42962447
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C19H19FN2O2S/c20-17-11-9-15(10-12-17)19(14-5-1-2-6-14)22-25(23,24)18-8-4-3-7-16(18)13-21/h3-4,7-12,14,19,22H,1-2,5-6H2
InChIKeyXNPVSWTXSBZQMC-UHFFFAOYSA-N
XLogP3.91
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide (CID 42962447) is 2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NC(c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is XNPVSWTXSBZQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c20-17-11-9-15(10-12-17)19(14-5-1-2-6-14)22-25(23,24)18-8-4-3-7-16(18)13-21/h3-4,7-12,14,19,22H,1-2,5-6H2.
What are the key properties of 2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide?
2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 358.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42962447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).