N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide

C12H16FNO2S — CID 935294

IUPACN-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCC2)ccc1F
InChIInChI=1S/C12H16FNO2S/c1-9-8-11(6-7-12(9)13)17(15,16)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3
InChIKeyZHPFGYISARQGKS-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.36
Rot. Bonds3

About N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide

N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 935294) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide
PubChem CID935294
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC NameN-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCC2)ccc1F
InChIInChI=1S/C12H16FNO2S/c1-9-8-11(6-7-12(9)13)17(15,16)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3
InChIKeyZHPFGYISARQGKS-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide (CID 935294) is N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCCC2)ccc1F.
What is the InChIKey of N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is ZHPFGYISARQGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-9-8-11(6-7-12(9)13)17(15,16)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide?
N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 257.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 935294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).