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

C16H16FN3O2S — CID 110785857

IUPAC4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc3c(c2)ncn3C)ccc1F
InChIInChI=1S/C16H16FN3O2S/c1-11-7-13(4-5-14(11)17)23(21,22)19-9-12-3-6-16-15(8-12)18-10-20(16)2/h3-8,10,19H,9H2,1-2H3
InChIKeyYXVVZYXLBHEVHT-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.50
Rot. Bonds4

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

4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110785857) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
PubChem CID110785857
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc3c(c2)ncn3C)ccc1F
InChIInChI=1S/C16H16FN3O2S/c1-11-7-13(4-5-14(11)17)23(21,22)19-9-12-3-6-16-15(8-12)18-10-20(16)2/h3-8,10,19H,9H2,1-2H3
InChIKeyYXVVZYXLBHEVHT-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]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-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791682
3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785887
4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791675
N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110785872
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785866
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide
CID 110760271
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 33040103
N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide
CID 110760324
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785932

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide (CID 110785857) is 4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2ccc3c(c2)ncn3C)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is YXVVZYXLBHEVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-11-7-13(4-5-14(11)17)23(21,22)19-9-12-3-6-16-15(8-12)18-10-20(16)2/h3-8,10,19H,9H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 333.39 g/mol, XLogP of 2.50, 4 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-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110785857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).