4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide

C20H17N3O3S — CID 25044152

IUPAC4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide
SMILESCOc1ccccc1-n1c(-c2ccc(S(N)(=O)=O)cc2)nc2ccccc21
InChIInChI=1S/C20H17N3O3S/c1-26-19-9-5-4-8-18(19)23-17-7-3-2-6-16(17)22-20(23)14-10-12-15(13-11-14)27(21,24)25/h2-13H,1H3,(H2,21,24,25)
InChIKeyXXHASIAFOCJRSL-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.35
Rot. Bonds4

About 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide

4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide (PubChem CID 25044152) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide
PubChem CID25044152
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide
SMILESCOc1ccccc1-n1c(-c2ccc(S(N)(=O)=O)cc2)nc2ccccc21
InChIInChI=1S/C20H17N3O3S/c1-26-19-9-5-4-8-18(19)23-17-7-3-2-6-16(17)22-20(23)14-10-12-15(13-11-14)27(21,24)25/h2-13H,1H3,(H2,21,24,25)
InChIKeyXXHASIAFOCJRSL-UHFFFAOYSA-N
XLogP3.35
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide (CID 25044152) is 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide is COc1ccccc1-n1c(-c2ccc(S(N)(=O)=O)cc2)nc2ccccc21.
What is the InChIKey of 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide?
The InChIKey is XXHASIAFOCJRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-26-19-9-5-4-8-18(19)23-17-7-3-2-6-16(17)22-20(23)14-10-12-15(13-11-14)27(21,24)25/h2-13H,1H3,(H2,21,24,25).
What are the key properties of 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide?
4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 25044152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).