4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide

C17H18FN3O2S — CID 110791682

IUPAC4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccc3c(c2)ncn3C)ccc1F
InChIInChI=1S/C17H18FN3O2S/c1-12-9-14(4-5-15(12)18)24(22,23)20-8-7-13-3-6-17-16(10-13)19-11-21(17)2/h3-6,9-11,20H,7-8H2,1-2H3
InChIKeyJNQNEQUJGJJUNU-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.54
Rot. Bonds5

About 4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide

4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110791682) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110791682
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccc3c(c2)ncn3C)ccc1F
InChIInChI=1S/C17H18FN3O2S/c1-12-9-14(4-5-15(12)18)24(22,23)20-8-7-13-3-6-17-16(10-13)19-11-21(17)2/h3-6,9-11,20H,7-8H2,1-2H3
InChIKeyJNQNEQUJGJJUNU-UHFFFAOYSA-N
XLogP2.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785857
4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791675
1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide
CID 110760271
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide
CID 110760324
4-fluoro-3-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660652
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320313
4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397955
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
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110791656

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide (CID 110791682) is 4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2ccc3c(c2)ncn3C)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is JNQNEQUJGJJUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-12-9-14(4-5-15(12)18)24(22,23)20-8-7-13-3-6-17-16(10-13)19-11-21(17)2/h3-6,9-11,20H,7-8H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 347.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110791682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).