N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide

C13H19FN2O2S — CID 110361846

IUPACN-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(N2CCCC2)ccc1F
InChIInChI=1S/C13H19FN2O2S/c1-2-9-19(17,18)15-13-10-11(5-6-12(13)14)16-7-3-4-8-16/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyGXOGDQYSZXFDQJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.58
Rot. Bonds5

About N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide

N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide (PubChem CID 110361846) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
PubChem CID110361846
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(N2CCCC2)ccc1F
InChIInChI=1S/C13H19FN2O2S/c1-2-9-19(17,18)15-13-10-11(5-6-12(13)14)16-7-3-4-8-16/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyGXOGDQYSZXFDQJ-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide
CID 110362270
N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
CID 60640535
N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide
CID 110400368
N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408
4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361895
N-(2-fluoro-5-piperidin-1-ylphenyl)propanamide
CID 110362225
2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide
CID 110613184
N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide
CID 110361779
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531
1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide
CID 110359724

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide (CID 110361846) is N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(N2CCCC2)ccc1F.
What is the InChIKey of N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide?
The InChIKey is GXOGDQYSZXFDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-2-9-19(17,18)15-13-10-11(5-6-12(13)14)16-7-3-4-8-16/h5-6,10,15H,2-4,7-9H2,1H3.
What are the key properties of N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide?
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 110361846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).