4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide

C16H16FN3O2S — CID 935019

IUPAC4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
SMILESCN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2S/c1-19(23(21,22)13-9-7-12(17)8-10-13)11-16-18-14-5-3-4-6-15(14)20(16)2/h3-10H,11H2,1-2H3
InChIKeyBFIWAXGGISAHGJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.53
Rot. Bonds4

About 4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide

4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 935019) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID935019
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
SMILESCN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2S/c1-19(23(21,22)13-9-7-12(17)8-10-13)11-16-18-14-5-3-4-6-15(14)20(16)2/h3-10H,11H2,1-2H3
InChIKeyBFIWAXGGISAHGJ-UHFFFAOYSA-N
XLogP2.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide (CID 935019) is 4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide is CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is BFIWAXGGISAHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-19(23(21,22)13-9-7-12(17)8-10-13)11-16-18-14-5-3-4-6-15(14)20(16)2/h3-10H,11H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 333.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 935019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).