4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide

C12H16FNO2S — CID 47377345

IUPAC4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C12H16FNO2S/c1-12(8-2-3-9-12)14-17(15,16)11-6-4-10(13)5-7-11/h4-7,14H,2-3,8-9H2,1H3
InChIKeyDUNFXRLKCVZHET-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.44
Rot. Bonds3

About 4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide

4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide (PubChem CID 47377345) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
PubChem CID47377345
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C12H16FNO2S/c1-12(8-2-3-9-12)14-17(15,16)11-6-4-10(13)5-7-11/h4-7,14H,2-3,8-9H2,1H3
InChIKeyDUNFXRLKCVZHET-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide (CID 47377345) is 4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide is CC1(NS(=O)(=O)c2ccc(F)cc2)CCCC1.
What is the InChIKey of 4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide?
The InChIKey is DUNFXRLKCVZHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-12(8-2-3-9-12)14-17(15,16)11-6-4-10(13)5-7-11/h4-7,14H,2-3,8-9H2,1H3.
What are the key properties of 4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide?
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide has a molecular weight of 257.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 47377345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).