3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide

C15H19FN4O3S — CID 126789498

IUPAC3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)c(F)c1
InChIInChI=1S/C15H19FN4O3S/c1-17-24(21,22)11-3-4-13(12(16)7-11)19-14-5-6-23-15(14)10-8-18-20(2)9-10/h3-4,7-9,14-15,17,19H,5-6H2,1-2H3/t14-,15+/m0/s1
InChIKeyNBWLKCLFFRAGQY-LSDHHAIUSA-N
MW354.41 g/mol
LogP1.41
Rot. Bonds5

About 3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide

3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide (PubChem CID 126789498) has the molecular formula C15H19FN4O3S and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide
PubChem CID126789498
Molecular FormulaC15H19FN4O3S
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC Name3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)c(F)c1
InChIInChI=1S/C15H19FN4O3S/c1-17-24(21,22)11-3-4-13(12(16)7-11)19-14-5-6-23-15(14)10-8-18-20(2)9-10/h3-4,7-9,14-15,17,19H,5-6H2,1-2H3/t14-,15+/m0/s1
InChIKeyNBWLKCLFFRAGQY-LSDHHAIUSA-N
XLogP1.41
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide (CID 126789498) is 3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)c(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide?
The InChIKey is NBWLKCLFFRAGQY-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H19FN4O3S/c1-17-24(21,22)11-3-4-13(12(16)7-11)19-14-5-6-23-15(14)10-8-18-20(2)9-10/h3-4,7-9,14-15,17,19H,5-6H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of 3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide?
3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide has a molecular weight of 354.41 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 126789498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).