N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide

C16H16FN3O3S — CID 3918464

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)ccc1F
InChIInChI=1S/C16H16FN3O3S/c1-10-8-12(5-6-13(10)17)24(22,23)18-11-4-7-14-15(9-11)20(3)16(21)19(14)2/h4-9,18H,1-3H3
InChIKeyJUBCMJWXGXWPHB-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.13
Rot. Bonds3

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 3918464) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide
PubChem CID3918464
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)ccc1F
InChIInChI=1S/C16H16FN3O3S/c1-10-8-12(5-6-13(10)17)24(22,23)18-11-4-7-14-15(9-11)20(3)16(21)19(14)2/h4-9,18H,1-3H3
InChIKeyJUBCMJWXGXWPHB-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-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide (CID 3918464) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)ccc1F.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is JUBCMJWXGXWPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-10-8-12(5-6-13(10)17)24(22,23)18-11-4-7-14-15(9-11)20(3)16(21)19(14)2/h4-9,18H,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide 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-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 3918464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).