2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide

C15H11F2N3O2S2 — CID 22746874

IUPAC2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide
SMILESCc1nc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cs1
InChIInChI=1S/C15H11F2N3O2S2/c1-8-20-13(7-23-8)9-3-2-4-19-15(9)10-5-12(17)14(6-11(10)16)24(18,21)22/h2-7H,1H3,(H2,18,21,22)
InChIKeyGCQCJQWAGOQLIE-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.11
Rot. Bonds3

About 2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide

2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide (PubChem CID 22746874) has the molecular formula C15H11F2N3O2S2 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide
PubChem CID22746874
Molecular FormulaC15H11F2N3O2S2
Molecular Weight367.40 g/mol
Exact Mass367.03
IUPAC Name2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide
SMILESCc1nc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cs1
InChIInChI=1S/C15H11F2N3O2S2/c1-8-20-13(7-23-8)9-3-2-4-19-15(9)10-5-12(17)14(6-11(10)16)24(18,21)22/h2-7H,1H3,(H2,18,21,22)
InChIKeyGCQCJQWAGOQLIE-UHFFFAOYSA-N
XLogP3.11
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide (CID 22746874) is 2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide is Cc1nc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cs1.
What is the InChIKey of 2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is GCQCJQWAGOQLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S2/c1-8-20-13(7-23-8)9-3-2-4-19-15(9)10-5-12(17)14(6-11(10)16)24(18,21)22/h2-7H,1H3,(H2,18,21,22).
What are the key properties of 2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide?
2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 367.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[3-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 22746874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).