4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide

C11H15FN2O2S — CID 104826095

IUPAC4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCC1CNCC1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2S/c1-8-6-13-7-11(8)14-17(15,16)10-4-2-9(12)3-5-10/h2-5,8,11,13-14H,6-7H2,1H3
InChIKeyYXVYWAOJRRJCPR-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.71
Rot. Bonds3

About 4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide

4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 104826095) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID104826095
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCC1CNCC1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2S/c1-8-6-13-7-11(8)14-17(15,16)10-4-2-9(12)3-5-10/h2-5,8,11,13-14H,6-7H2,1H3
InChIKeyYXVYWAOJRRJCPR-UHFFFAOYSA-N
XLogP0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyano-3-pyrrolidinyl)benzenesulfonamide
CID 9816412
N-[(1-cyano-3-pyrrolidinyl)methyl]benzenesulfonamide
CID 10515827
N-[(3R)-1-cyanopyrrolidin-3-yl]benzenesulfonamide
CID 53324300
N-[(3S)-1-cyanopyrrolidin-3-yl]benzenesulfonamide
CID 53326656
(3S)-1-(phenylsulfonyl)pyrrolidin-3-amine
CID 94075007
N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide;hydrochloride
CID 16238666
Diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium
CID 2161438
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-3-fluoro-4-methylbenzene-1-sulfonamide
CID 91922812
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-3,5-difluoro-1-benzenesulfonamide
CID 91922816
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-3-(trifluoromethyl)-1-benzenesulfonamide
CID 91922819
N-[(1-cyanopyrrolidin-2-yl)methyl]benzenesulfonamide
CID 9813935
N-(1-cyanopyrrolidin-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 87579459

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide (CID 104826095) is 4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide is CC1CNCC1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is YXVYWAOJRRJCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-8-6-13-7-11(8)14-17(15,16)10-4-2-9(12)3-5-10/h2-5,8,11,13-14H,6-7H2,1H3.
What are the key properties of 4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide?
4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 258.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 104826095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).