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

C21H19N3O3S — CID 1097865

IUPACN-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-n2cnc3cc(NS(=O)(=O)c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C21H19N3O3S/c1-15-3-10-19(11-4-15)28(25,26)23-16-5-12-21-20(13-16)22-14-24(21)17-6-8-18(27-2)9-7-17/h3-14,23H,1-2H3
InChIKeyVNPZELIQHSJNSP-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.14
Rot. Bonds5

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

N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide (PubChem CID 1097865) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide
PubChem CID1097865
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-n2cnc3cc(NS(=O)(=O)c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C21H19N3O3S/c1-15-3-10-19(11-4-15)28(25,26)23-16-5-12-21-20(13-16)22-14-24(21)17-6-8-18(27-2)9-7-17/h3-14,23H,1-2H3
InChIKeyVNPZELIQHSJNSP-UHFFFAOYSA-N
XLogP4.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
CID 2881374
N-[4-(5-methoxybenzimidazol-1-yl)phenyl]formamide
CID 86676154
N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 1373136
(2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24513087
1-(4-methoxyphenyl)benzimidazol-5-amine
CID 783122
4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide
CID 110728593
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine
CID 2887907
4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide
CID 169370714
N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371317
3-[5-(benzenesulfonamido)benzimidazol-1-yl]-3-(4-methoxyphenyl)propanoic acid
CID 11626589
4-[2-(4-methoxyphenyl)-4-methylpyrrol-1-yl]-N-methylbenzenesulfonamide
CID 140981238
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide
CID 169371169

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide (CID 1097865) is N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide is COc1ccc(-n2cnc3cc(NS(=O)(=O)c4ccc(C)cc4)ccc32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide?
The InChIKey is VNPZELIQHSJNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-15-3-10-19(11-4-15)28(25,26)23-16-5-12-21-20(13-16)22-14-24(21)17-6-8-18(27-2)9-7-17/h3-14,23H,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide?
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 4.14, 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1097865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).