4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide

C16H16FN3O2S — CID 1474186

IUPAC4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
SMILESCc1cc2c(ncn2C)c(NS(=O)(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C16H16FN3O2S/c1-10-8-14-16(18-9-20(14)3)15(11(10)2)19-23(21,22)13-6-4-12(17)5-7-13/h4-9,19H,1-3H3
InChIKeyBYXKACUKLNTEDX-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.13
Rot. Bonds3

About 4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide

4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide (PubChem CID 1474186) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
PubChem CID1474186
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
SMILESCc1cc2c(ncn2C)c(NS(=O)(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C16H16FN3O2S/c1-10-8-14-16(18-9-20(14)3)15(11(10)2)19-23(21,22)13-6-4-12(17)5-7-13/h4-9,19H,1-3H3
InChIKeyBYXKACUKLNTEDX-UHFFFAOYSA-N
XLogP3.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide (CID 1474186) is 4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide is Cc1cc2c(ncn2C)c(NS(=O)(=O)c2ccc(F)cc2)c1C.
What is the InChIKey of 4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
The InChIKey is BYXKACUKLNTEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-10-8-14-16(18-9-20(14)3)15(11(10)2)19-23(21,22)13-6-4-12(17)5-7-13/h4-9,19H,1-3H3.
What are the key properties of 4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide?
4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide has a molecular weight of 333.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 1474186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).