N-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide

C20H17N3O3S — CID 1077757

IUPACN-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-n2cnc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1
InChIInChI=1S/C20H17N3O3S/c1-26-17-10-8-16(9-11-17)23-14-21-19-13-15(7-12-20(19)23)22-27(24,25)18-5-3-2-4-6-18/h2-14,22H,1H3
InChIKeyJREVTXZNJDBREG-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.83
Rot. Bonds5

About N-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide

N-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide (PubChem CID 1077757) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide
PubChem CID1077757
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-n2cnc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1
InChIInChI=1S/C20H17N3O3S/c1-26-17-10-8-16(9-11-17)23-14-21-19-13-15(7-12-20(19)23)22-27(24,25)18-5-3-2-4-6-18/h2-14,22H,1H3
InChIKeyJREVTXZNJDBREG-UHFFFAOYSA-N
XLogP3.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
4-(5-methoxy-1H-1,3-benzodiazol-1-yl)aniline
CID 5328512
1-(4-methoxyphenyl)-N-(4-methylbenzyl)-1H-benzimidazol-5-amine
CID 4341432
2-[[[1-(4-Methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol
CID 672701
1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 66794200
1-(4-methoxyphenyl)-1H-benzimidazole
CID 743942
1-(4-Ethoxyphenyl)sulfonylbenzimidazole
CID 846993
1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole
CID 1583575
1-(4-Methoxyphenyl)sulfonylbenzimidazole;hydrochloride
CID 23724233
1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine
CID 1124052
1-(4-Methoxy-phenyl)-1H-benzoimidazol-5-ylamine
CID 783122
N-(4-methoxybenzyl)-1-(4-methoxyphenyl)-1H-benzimidazol-5-amine
CID 1122995

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide (CID 1077757) is N-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide is COc1ccc(-n2cnc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is JREVTXZNJDBREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-26-17-10-8-16(9-11-17)23-14-21-19-13-15(7-12-20(19)23)22-27(24,25)18-5-3-2-4-6-18/h2-14,22H,1H3.
What are the key properties of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide?
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 1077757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).