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

C15H14FN3O2S — CID 78809665

IUPAC2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1c(CNS(=O)(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C15H14FN3O2S/c1-19-13-8-4-3-7-12(13)18-15(19)10-17-22(20,21)14-9-5-2-6-11(14)16/h2-9,17H,10H2,1H3
InChIKeyXWDJJZAGBCTUJH-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.19
Rot. Bonds4

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

2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 78809665) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID78809665
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1c(CNS(=O)(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C15H14FN3O2S/c1-19-13-8-4-3-7-12(13)18-15(19)10-17-22(20,21)14-9-5-2-6-11(14)16/h2-9,17H,10H2,1H3
InChIKeyXWDJJZAGBCTUJH-UHFFFAOYSA-N
XLogP2.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[(1-methylbenzimidazol-2-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

2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809672
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 18197789
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 110712008
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107598333
N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide
CID 74238376
N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 78809678
N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688305
4-N-benzyl-4-N-ethyl-1-N-[(1-methylbenzimidazol-2-yl)methyl]benzene-1,4-disulfonamide
CID 1168577
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79559017
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide (CID 78809665) is 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide is Cn1c(CNS(=O)(=O)c2ccccc2F)nc2ccccc21.
What is the InChIKey of 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is XWDJJZAGBCTUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c1-19-13-8-4-3-7-12(13)18-15(19)10-17-22(20,21)14-9-5-2-6-11(14)16/h2-9,17H,10H2,1H3.
What are the key properties of 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 319.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 78809665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).