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

C16H16FN3O2S — CID 1447983

IUPAC4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1nc2ccccc2n1CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2S/c1-12-19-15-4-2-3-5-16(15)20(12)11-10-18-23(21,22)14-8-6-13(17)7-9-14/h2-9,18H,10-11H2,1H3
InChIKeyFBFIPUQEOHFYBY-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.46
Rot. Bonds5

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

4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 1447983) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide
PubChem CID1447983
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1nc2ccccc2n1CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2S/c1-12-19-15-4-2-3-5-16(15)20(12)11-10-18-23(21,22)14-8-6-13(17)7-9-14/h2-9,18H,10-11H2,1H3
InChIKeyFBFIPUQEOHFYBY-UHFFFAOYSA-N
XLogP2.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide (CID 1447983) is 4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide is Cc1nc2ccccc2n1CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is FBFIPUQEOHFYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-12-19-15-4-2-3-5-16(15)20(12)11-10-18-23(21,22)14-8-6-13(17)7-9-14/h2-9,18H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 333.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 1447983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).