4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

C17H18FN3O3S — CID 20962001

IUPAC4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)ccc1F
InChIInChI=1S/C17H18FN3O3S/c1-10-7-12(5-6-13(10)18)25(23,24)19-14-9-16-15(8-11(14)2)20(3)17(22)21(16)4/h5-9,19H,1-4H3
InChIKeyMFIJGMUHDMUEGM-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.43
Rot. Bonds3

About 4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 20962001) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
PubChem CID20962001
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)ccc1F
InChIInChI=1S/C17H18FN3O3S/c1-10-7-12(5-6-13(10)18)25(23,24)19-14-9-16-15(8-11(14)2)20(3)17(22)21(16)4/h5-9,19H,1-4H3
InChIKeyMFIJGMUHDMUEGM-UHFFFAOYSA-N
XLogP2.43
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (CID 20962001) is 4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is MFIJGMUHDMUEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-10-7-12(5-6-13(10)18)25(23,24)19-14-9-16-15(8-11(14)2)20(3)17(22)21(16)4/h5-9,19H,1-4H3.
What are the key properties of 4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 363.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20962001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).