N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide

C14H11F2N3O2S — CID 6736481

IUPACN-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCc1nc2ccccc2[nH]1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2N3O2S/c15-10-6-5-9(7-11(10)16)22(20,21)17-8-14-18-12-3-1-2-4-13(12)19-14/h1-7,17H,8H2,(H,18,19)
InChIKeyFFTYPFCADQCOFK-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.32
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide

N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide (PubChem CID 6736481) has the molecular formula C14H11F2N3O2S and a molecular weight of 323.32 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide
PubChem CID6736481
Molecular FormulaC14H11F2N3O2S
Molecular Weight323.32 g/mol
Exact Mass323.05
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCc1nc2ccccc2[nH]1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2N3O2S/c15-10-6-5-9(7-11(10)16)22(20,21)17-8-14-18-12-3-1-2-4-13(12)19-14/h1-7,17H,8H2,(H,18,19)
InChIKeyFFTYPFCADQCOFK-UHFFFAOYSA-N
XLogP2.32
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide 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

N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
CID 110711606
N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide
CID 79013941
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide
CID 78991619
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 46379463
N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide
CID 30160078
N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 6735005
4-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide
CID 30160086
N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 112791038
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 146024065
N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 78991651
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110711936
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106150581

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide (CID 6736481) is N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide is O=S(=O)(NCc1nc2ccccc2[nH]1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is FFTYPFCADQCOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2S/c15-10-6-5-9(7-11(10)16)22(20,21)17-8-14-18-12-3-1-2-4-13(12)19-14/h1-7,17H,8H2,(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide?
N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 323.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 6736481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).