3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide

C13H20FN3O4S2 — CID 119977160

IUPAC3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC2CCNC2)cc1F
InChIInChI=1S/C13H20FN3O4S2/c1-22(18,19)17-13-3-2-11(8-12(13)14)23(20,21)16-7-5-10-4-6-15-9-10/h2-3,8,10,15-17H,4-7,9H2,1H3
InChIKeyVNGPMFOAFKDEGZ-UHFFFAOYSA-N
MW365.45 g/mol
LogP0.48
Rot. Bonds7

About 3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide

3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide (PubChem CID 119977160) has the molecular formula C13H20FN3O4S2 and a molecular weight of 365.45 g/mol. Its IUPAC name is 3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
PubChem CID119977160
Molecular FormulaC13H20FN3O4S2
Molecular Weight365.45 g/mol
Exact Mass365.09
IUPAC Name3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC2CCNC2)cc1F
InChIInChI=1S/C13H20FN3O4S2/c1-22(18,19)17-13-3-2-11(8-12(13)14)23(20,21)16-7-5-10-4-6-15-9-10/h2-3,8,10,15-17H,4-7,9H2,1H3
InChIKeyVNGPMFOAFKDEGZ-UHFFFAOYSA-N
XLogP0.48
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)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

3-bromo-4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977436
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
4-bromo-3-methyl-N-[2-[(3S)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 98571467
3-ethylsulfonyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977092
2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride
CID 119977325
3-bromo-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119976896
4-bromo-3-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977366
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977027
2-methyl-N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119977213
3-bromo-4-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977238
4-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63622886

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide (CID 119977160) is 3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide is CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC2CCNC2)cc1F.
What is the InChIKey of 3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
The InChIKey is VNGPMFOAFKDEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O4S2/c1-22(18,19)17-13-3-2-11(8-12(13)14)23(20,21)16-7-5-10-4-6-15-9-10/h2-3,8,10,15-17H,4-7,9H2,1H3.
What are the key properties of 3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide?
3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 119977160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).