4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C17H13FN4O2S2 — CID 89101874

IUPAC4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc2ccc(F)cc2n1-c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H13FN4O2S2/c1-11-20-15-7-2-12(18)10-16(15)22(11)13-3-5-14(6-4-13)26(23,24)21-17-19-8-9-25-17/h2-10H,1H3,(H,19,21)
InChIKeyVUSSKKZGUCHXNY-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.73
Rot. Bonds4

About 4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 89101874) has the molecular formula C17H13FN4O2S2 and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID89101874
Molecular FormulaC17H13FN4O2S2
Molecular Weight388.45 g/mol
Exact Mass388.05
IUPAC Name4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc2ccc(F)cc2n1-c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H13FN4O2S2/c1-11-20-15-7-2-12(18)10-16(15)22(11)13-3-5-14(6-4-13)26(23,24)21-17-19-8-9-25-17/h2-10H,1H3,(H,19,21)
InChIKeyVUSSKKZGUCHXNY-UHFFFAOYSA-N
XLogP3.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 89101874) is 4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1nc2ccc(F)cc2n1-c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is VUSSKKZGUCHXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2S2/c1-11-20-15-7-2-12(18)10-16(15)22(11)13-3-5-14(6-4-13)26(23,24)21-17-19-8-9-25-17/h2-10H,1H3,(H,19,21).
What are the key properties of 4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 89101874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).