2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide

C21H18N4O4S — CID 10112985

IUPAC2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C21H18N4O4S/c1-29-16-7-5-15(6-8-16)25-30(27,28)17-9-2-13(3-10-17)21-23-18-11-4-14(20(22)26)12-19(18)24-21/h2-12,25H,1H3,(H2,22,26)(H,23,24)
InChIKeyBKQMUKMFGQVJLQ-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.14
Rot. Bonds6

About 2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10112985) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10112985
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Name2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C21H18N4O4S/c1-29-16-7-5-15(6-8-16)25-30(27,28)17-9-2-13(3-10-17)21-23-18-11-4-14(20(22)26)12-19(18)24-21/h2-12,25H,1H3,(H2,22,26)(H,23,24)
InChIKeyBKQMUKMFGQVJLQ-UHFFFAOYSA-N
XLogP3.14
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 10112985) is 2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide is COc1ccc(NS(=O)(=O)c2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is BKQMUKMFGQVJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-29-16-7-5-15(6-8-16)25-30(27,28)17-9-2-13(3-10-17)21-23-18-11-4-14(20(22)26)12-19(18)24-21/h2-12,25H,1H3,(H2,22,26)(H,23,24).
What are the key properties of 2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10112985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).