N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide

C20H17N3O2S — CID 166203692

IUPACN-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C20H17N3O2S/c24-26(25,18-6-2-1-3-7-18)22-14-16-10-12-17(13-11-16)23-15-21-19-8-4-5-9-20(19)23/h1-13,15,22H,14H2
InChIKeyZBSAVVALFSFUCH-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.50
Rot. Bonds5

About N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide

N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 166203692) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID166203692
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C20H17N3O2S/c24-26(25,18-6-2-1-3-7-18)22-14-16-10-12-17(13-11-16)23-15-21-19-8-4-5-9-20(19)23/h1-13,15,22H,14H2
InChIKeyZBSAVVALFSFUCH-UHFFFAOYSA-N
XLogP3.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate
CID 167886525
(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 52535721
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785932
N-[[4-[(2R,4R,5S,6S)-4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
CID 6689017
N-(benzimidazol-1-yl)benzenesulfonamide
CID 118414889
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 166402905
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(3-ethylpyrrol-1-yl)urea
CID 169434122
7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
CID 119760545
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide
CID 171418978
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide (CID 166203692) is N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1.
What is the InChIKey of N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is ZBSAVVALFSFUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c24-26(25,18-6-2-1-3-7-18)22-14-16-10-12-17(13-11-16)23-15-21-19-8-4-5-9-20(19)23/h1-13,15,22H,14H2.
What are the key properties of N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 166203692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).