N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide

C21H18N4O3S — CID 18105180

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H18N4O3S/c26-21(22-14-20-23-18-8-4-5-9-19(18)24-20)15-10-12-17(13-11-15)29(27,28)25-16-6-2-1-3-7-16/h1-13,25H,14H2,(H,22,26)(H,23,24)
InChIKeyOKHRMGZEOFZDTF-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.29
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide

N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide (PubChem CID 18105180) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide
PubChem CID18105180
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H18N4O3S/c26-21(22-14-20-23-18-8-4-5-9-19(18)24-20)15-10-12-17(13-11-15)29(27,28)25-16-6-2-1-3-7-16/h1-13,25H,14H2,(H,22,26)(H,23,24)
InChIKeyOKHRMGZEOFZDTF-UHFFFAOYSA-N
XLogP3.29
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide
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N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
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2-anilino-N-(1H-benzimidazol-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 117093180
N-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylsulfamoyl)benzamide
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N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide (CID 18105180) is N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide is O=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide?
The InChIKey is OKHRMGZEOFZDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c26-21(22-14-20-23-18-8-4-5-9-19(18)24-20)15-10-12-17(13-11-15)29(27,28)25-16-6-2-1-3-7-16/h1-13,25H,14H2,(H,22,26)(H,23,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide?
N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide has a molecular weight of 406.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 18105180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).