2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide

C10H12F2N2O2S — CID 79684830

IUPAC2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCNC1)c1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2O2S/c11-7-1-2-10(9(12)5-7)17(15,16)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2/t8-/m1/s1
InChIKeyFLBNZAVDJSDXQW-MRVPVSSYSA-N
MW262.28 g/mol
LogP0.61
Rot. Bonds3

About 2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide

2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 79684830) has the molecular formula C10H12F2N2O2S and a molecular weight of 262.28 g/mol. Its IUPAC name is 2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
PubChem CID79684830
Molecular FormulaC10H12F2N2O2S
Molecular Weight262.28 g/mol
Exact Mass262.06
IUPAC Name2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCNC1)c1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2O2S/c11-7-1-2-10(9(12)5-7)17(15,16)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2/t8-/m1/s1
InChIKeyFLBNZAVDJSDXQW-MRVPVSSYSA-N
XLogP0.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-N-[(3R)-pyrrolidin-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

2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068837
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966989
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062
2-fluoro-4,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686087
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 62380630
4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide
CID 63321601
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide (CID 79684830) is 2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCNC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is FLBNZAVDJSDXQW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S/c11-7-1-2-10(9(12)5-7)17(15,16)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2/t8-/m1/s1.
What are the key properties of 2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 262.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 79684830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).