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

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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).