3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide

C21H15F2N3O2S2 — CID 24831260

IUPAC3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide
SMILESCc1ccc(-c2nccs2)cc1-c1ccc(NS(=O)(=O)c2ncc(F)cc2F)cc1
InChIInChI=1S/C21H15F2N3O2S2/c1-13-2-3-15(20-24-8-9-29-20)10-18(13)14-4-6-17(7-5-14)26-30(27,28)21-19(23)11-16(22)12-25-21/h2-12,26H,1H3
InChIKeyMFJGVVIAKIPYGW-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.26
Rot. Bonds5

About 3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide

3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide (PubChem CID 24831260) has the molecular formula C21H15F2N3O2S2 and a molecular weight of 443.50 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide
PubChem CID24831260
Molecular FormulaC21H15F2N3O2S2
Molecular Weight443.50 g/mol
Exact Mass443.06
IUPAC Name3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide
SMILESCc1ccc(-c2nccs2)cc1-c1ccc(NS(=O)(=O)c2ncc(F)cc2F)cc1
InChIInChI=1S/C21H15F2N3O2S2/c1-13-2-3-15(20-24-8-9-29-20)10-18(13)14-4-6-17(7-5-14)26-30(27,28)21-19(23)11-16(22)12-25-21/h2-12,26H,1H3
InChIKeyMFJGVVIAKIPYGW-UHFFFAOYSA-N
XLogP5.26
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide 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

N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide
CID 25012898
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 16195644
4-(3-Methylphenyl)-5-(2-methyl-4-pyridyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole
CID 10223922
4-[2-(4-Methanesulfonyl-phenyl)-4-m-tolyl-thiazol-5-yl]-pyridine
CID 11418329
4-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-pyridyl) thiazole
CID 22912196
N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide
CID 25013557
2,5-difluoro-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)benzenesulfonamide
CID 7119061
4-[4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazol-2-yl]-pyridine
CID 22912123
4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 25013555
2-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N-(2-fluoro-4-heptylphenyl)-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 89939224
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(3-methyl-1-benzothiophen-2-yl)-6-methylsulfanylpyridine-3-sulfonamide
CID 131635690
US11174268, Example 317
CID 134585274

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide?
The IUPAC name of 3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide (CID 24831260) is 3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide?
The canonical SMILES for 3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide is Cc1ccc(-c2nccs2)cc1-c1ccc(NS(=O)(=O)c2ncc(F)cc2F)cc1.
What is the InChIKey of 3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide?
The InChIKey is MFJGVVIAKIPYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2S2/c1-13-2-3-15(20-24-8-9-29-20)10-18(13)14-4-6-17(7-5-14)26-30(27,28)21-19(23)11-16(22)12-25-21/h2-12,26H,1H3.
What are the key properties of 3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide?
3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide has a molecular weight of 443.50 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]phenyl]pyridine-2-sulfonamide is sourced from PubChem (CID 24831260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).