2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide

C16H11F2N3O2S — CID 75449193

IUPAC2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cncnc1-c1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C16H11F2N3O2S/c17-12-6-7-13(18)15(8-12)24(22,23)21-14-9-19-10-20-16(14)11-4-2-1-3-5-11/h1-10,21H
InChIKeyJMRKRSFVDWRVSD-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.22
Rot. Bonds4

About 2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide

2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide (PubChem CID 75449193) has the molecular formula C16H11F2N3O2S and a molecular weight of 347.35 g/mol. Its IUPAC name is 2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide
PubChem CID75449193
Molecular FormulaC16H11F2N3O2S
Molecular Weight347.35 g/mol
Exact Mass347.05
IUPAC Name2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cncnc1-c1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C16H11F2N3O2S/c17-12-6-7-13(18)15(8-12)24(22,23)21-14-9-19-10-20-16(14)11-4-2-1-3-5-11/h1-10,21H
InChIKeyJMRKRSFVDWRVSD-UHFFFAOYSA-N
XLogP3.22
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-difluoro-N-(4-phenylpyrimidin-5-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

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide (CID 75449193) is 2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide is O=S(=O)(Nc1cncnc1-c1ccccc1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide?
The InChIKey is JMRKRSFVDWRVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2S/c17-12-6-7-13(18)15(8-12)24(22,23)21-14-9-19-10-20-16(14)11-4-2-1-3-5-11/h1-10,21H.
What are the key properties of 2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide?
2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide has a molecular weight of 347.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 75449193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).