N-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide

C13H11FN4O2S2 — CID 70138209

IUPACN-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cncn2-c2nccs2)ccc1F
InChIInChI=1S/C13H11FN4O2S2/c1-9-6-10(2-3-11(9)14)17-22(19,20)12-7-15-8-18(12)13-16-4-5-21-13/h2-8,17H,1H3
InChIKeyVVBJLIRWJSSJQF-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.58
Rot. Bonds4

About N-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide

N-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide (PubChem CID 70138209) has the molecular formula C13H11FN4O2S2 and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide
PubChem CID70138209
Molecular FormulaC13H11FN4O2S2
Molecular Weight338.39 g/mol
Exact Mass338.03
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cncn2-c2nccs2)ccc1F
InChIInChI=1S/C13H11FN4O2S2/c1-9-6-10(2-3-11(9)14)17-22(19,20)12-7-15-8-18(12)13-16-4-5-21-13/h2-8,17H,1H3
InChIKeyVVBJLIRWJSSJQF-UHFFFAOYSA-N
XLogP2.58
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide (CID 70138209) is N-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide is Cc1cc(NS(=O)(=O)c2cncn2-c2nccs2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide?
The InChIKey is VVBJLIRWJSSJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2S2/c1-9-6-10(2-3-11(9)14)17-22(19,20)12-7-15-8-18(12)13-16-4-5-21-13/h2-8,17H,1H3.
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide?
N-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide has a molecular weight of 338.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-(1,3-thiazol-2-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 70138209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).