2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide

C14H17FN2O3S — CID 115360443

IUPAC2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NCC1(CO)CCCC1
InChIInChI=1S/C14H17FN2O3S/c15-12-4-3-5-13(11(12)8-16)21(19,20)17-9-14(10-18)6-1-2-7-14/h3-5,17-18H,1-2,6-7,9-10H2
InChIKeyHJIOVYRJCAILQJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.53
Rot. Bonds5

About 2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide

2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide (PubChem CID 115360443) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
PubChem CID115360443
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NCC1(CO)CCCC1
InChIInChI=1S/C14H17FN2O3S/c15-12-4-3-5-13(11(12)8-16)21(19,20)17-9-14(10-18)6-1-2-7-14/h3-5,17-18H,1-2,6-7,9-10H2
InChIKeyHJIOVYRJCAILQJ-UHFFFAOYSA-N
XLogP1.53
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide (CID 115360443) is 2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide is N#Cc1c(F)cccc1S(=O)(=O)NCC1(CO)CCCC1.
What is the InChIKey of 2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is HJIOVYRJCAILQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c15-12-4-3-5-13(11(12)8-16)21(19,20)17-9-14(10-18)6-1-2-7-14/h3-5,17-18H,1-2,6-7,9-10H2.
What are the key properties of 2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 115360443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).