2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide

C11H14F2N2O3S — CID 43597247

IUPAC2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O3S/c1-18-10-6-14-5-9(10)15-19(16,17)11-4-7(12)2-3-8(11)13/h2-4,9-10,14-15H,5-6H2,1H3/t9?,10-/m0/s1
InChIKeyIORBPYIJSKHUNW-AXDSSHIGSA-N
MW292.31 g/mol
LogP0.23
Rot. Bonds4

About 2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide

2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide (PubChem CID 43597247) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
PubChem CID43597247
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O3S/c1-18-10-6-14-5-9(10)15-19(16,17)11-4-7(12)2-3-8(11)13/h2-4,9-10,14-15H,5-6H2,1H3/t9?,10-/m0/s1
InChIKeyIORBPYIJSKHUNW-AXDSSHIGSA-N
XLogP0.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-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-bromo-4-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 61142760
4-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-nitrobenzenesulfonamide
CID 43597115
4-bromo-2-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 104889684
3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 43597244
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585302
2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826055
3-bromo-4-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 43597234
N-[(4S)-4-methoxypyrrolidin-3-yl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 43597245
N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide
CID 65032633
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide
CID 102920705

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide (CID 43597247) is 2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide is CO[C@H]1CNCC1NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is IORBPYIJSKHUNW-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-18-10-6-14-5-9(10)15-19(16,17)11-4-7(12)2-3-8(11)13/h2-4,9-10,14-15H,5-6H2,1H3/t9?,10-/m0/s1.
What are the key properties of 2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide?
2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 292.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 43597247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).