4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide

C16H16FN3O2S — CID 110791675

IUPAC4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide
SMILESCn1cnc2cc(CCNS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C16H16FN3O2S/c1-20-11-18-15-10-12(2-7-16(15)20)8-9-19-23(21,22)14-5-3-13(17)4-6-14/h2-7,10-11,19H,8-9H2,1H3
InChIKeyUQVBRNJVEDJQDS-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.23
Rot. Bonds5

About 4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide

4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110791675) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110791675
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide
SMILESCn1cnc2cc(CCNS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C16H16FN3O2S/c1-20-11-18-15-10-12(2-7-16(15)20)8-9-19-23(21,22)14-5-3-13(17)4-6-14/h2-7,10-11,19H,8-9H2,1H3
InChIKeyUQVBRNJVEDJQDS-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791682
1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide
CID 110760271
4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785857
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
2-[2-(1-methylbenzimidazol-5-yl)ethylamino]ethanethiol
CID 115224269
N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115206036
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide
CID 110759965
N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
CID 115159038

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide (CID 110791675) is 4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide is Cn1cnc2cc(CCNS(=O)(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of 4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is UQVBRNJVEDJQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-20-11-18-15-10-12(2-7-16(15)20)8-9-19-23(21,22)14-5-3-13(17)4-6-14/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 333.39 g/mol, XLogP of 2.23, 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-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110791675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).