N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

C20H17N3O3S — CID 15989541

IUPACN-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C20H17N3O3S/c1-26-16-9-7-15(8-10-16)23-27(24,25)17-11-12-18-19(13-17)22-20(21-18)14-5-3-2-4-6-14/h2-13,23H,1H3,(H,21,22)
InChIKeyNSBJBBKUMZOSIG-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.04
Rot. Bonds5

About N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (PubChem CID 15989541) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
PubChem CID15989541
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C20H17N3O3S/c1-26-16-9-7-15(8-10-16)23-27(24,25)17-11-12-18-19(13-17)22-20(21-18)14-5-3-2-4-6-14/h2-13,23H,1H3,(H,21,22)
InChIKeyNSBJBBKUMZOSIG-UHFFFAOYSA-N
XLogP4.04
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (CID 15989541) is N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is NSBJBBKUMZOSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-26-16-9-7-15(8-10-16)23-27(24,25)17-11-12-18-19(13-17)22-20(21-18)14-5-3-2-4-6-14/h2-13,23H,1H3,(H,21,22).
What are the key properties of N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 379.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 15989541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).