N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide

C13H19FN2O2S — CID 70710488

IUPACN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1
InChIInChI=1S/C13H19FN2O2S/c1-9-3-4-10(2)13(5-9)19(17,18)16-8-12-6-11(14)7-15-12/h3-5,11-12,15-16H,6-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyWNNSXOYSNWWJIP-RYUDHWBXSA-N
MW286.37 g/mol
LogP1.28
Rot. Bonds4

About N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 70710488) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide
PubChem CID70710488
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1
InChIInChI=1S/C13H19FN2O2S/c1-9-3-4-10(2)13(5-9)19(17,18)16-8-12-6-11(14)7-15-12/h3-5,11-12,15-16H,6-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyWNNSXOYSNWWJIP-RYUDHWBXSA-N
XLogP1.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide 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

2,5-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 63009066
2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94479302
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084395
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 16887727
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974339
methyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62541476
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide (CID 70710488) is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1.
What is the InChIKey of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is WNNSXOYSNWWJIP-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9-3-4-10(2)13(5-9)19(17,18)16-8-12-6-11(14)7-15-12/h3-5,11-12,15-16H,6-8H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide?
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 70710488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).