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

C16H16FN3O4S — CID 6501570

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C16H16FN3O4S/c1-19-13-6-4-10(8-14(13)20(2)16(19)21)18-25(22,23)11-5-7-15(24-3)12(17)9-11/h4-9,18H,1-3H3
InChIKeyNIIJBMNBMGMEIQ-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.83
Rot. Bonds4

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 6501570) has the molecular formula C16H16FN3O4S and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID6501570
Molecular FormulaC16H16FN3O4S
Molecular Weight365.39 g/mol
Exact Mass365.08
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C16H16FN3O4S/c1-19-13-6-4-10(8-14(13)20(2)16(19)21)18-25(22,23)11-5-7-15(24-3)12(17)9-11/h4-9,18H,1-3H3
InChIKeyNIIJBMNBMGMEIQ-UHFFFAOYSA-N
XLogP1.83
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide (CID 6501570) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1F.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is NIIJBMNBMGMEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4S/c1-19-13-6-4-10(8-14(13)20(2)16(19)21)18-25(22,23)11-5-7-15(24-3)12(17)9-11/h4-9,18H,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 365.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 6501570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).