2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride

C12H17ClF2N2O2S — CID 119977027

IUPAC2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCNC1)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2S.ClH/c13-10-1-2-12(11(14)7-10)19(17,18)16-6-4-9-3-5-15-8-9;/h1-2,7,9,15-16H,3-6,8H2;1H
InChIKeyIZDBCNKUQXFPQI-UHFFFAOYSA-N
MW326.80 g/mol
LogP1.66
Rot. Bonds5

About 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride

2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 119977027) has the molecular formula C12H17ClF2N2O2S and a molecular weight of 326.80 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID119977027
Molecular FormulaC12H17ClF2N2O2S
Molecular Weight326.80 g/mol
Exact Mass326.07
IUPAC Name2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCNC1)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2S.ClH/c13-10-1-2-12(11(14)7-10)19(17,18)16-6-4-9-3-5-15-8-9;/h1-2,7,9,15-16H,3-6,8H2;1H
InChIKeyIZDBCNKUQXFPQI-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride 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-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977191
2-bromo-4-fluoro-N-[2-[(3S)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 98572226
2,3,4-trifluoro-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 129379078
2,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977169
4-bromo-5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 120709577
2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972390
3-bromo-4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977436
1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide
CID 63624166
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63624523
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride (CID 119977027) is 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NCCC1CCNC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is IZDBCNKUQXFPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S.ClH/c13-10-1-2-12(11(14)7-10)19(17,18)16-6-4-9-3-5-15-8-9;/h1-2,7,9,15-16H,3-6,8H2;1H.
What are the key properties of 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride?
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119977027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).