N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C16H16FN3O3S — CID 49368778

IUPACN-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C16H16FN3O3S/c1-10-8-11(17)4-6-13(10)18-24(22,23)12-5-7-14-15(9-12)20(3)16(21)19(14)2/h4-9,18H,1-3H3
InChIKeyIHRAPVPHELOIMC-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.13
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 49368778) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID49368778
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C16H16FN3O3S/c1-10-8-11(17)4-6-13(10)18-24(22,23)12-5-7-14-15(9-12)20(3)16(21)19(14)2/h4-9,18H,1-3H3
InChIKeyIHRAPVPHELOIMC-UHFFFAOYSA-N
XLogP2.13
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 49368778) is N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is IHRAPVPHELOIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-10-8-11(17)4-6-13(10)18-24(22,23)12-5-7-14-15(9-12)20(3)16(21)19(14)2/h4-9,18H,1-3H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 349.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 49368778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).