N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide

C27H22N4O3S — CID 3501907

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C27H22N4O3S/c1-31(22-7-3-2-4-8-22)35(33,34)23-17-13-20(14-18-23)27(32)28-21-15-11-19(12-16-21)26-29-24-9-5-6-10-25(24)30-26/h2-18H,1H3,(H,28,32)(H,29,30)
InChIKeyGOWIHULBRINHCS-UHFFFAOYSA-N
MW482.57 g/mol
LogP5.31
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 3501907) has the molecular formula C27H22N4O3S and a molecular weight of 482.57 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID3501907
Molecular FormulaC27H22N4O3S
Molecular Weight482.57 g/mol
Exact Mass482.14
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C27H22N4O3S/c1-31(22-7-3-2-4-8-22)35(33,34)23-17-13-20(14-18-23)27(32)28-21-15-11-19(12-16-21)26-29-24-9-5-6-10-25(24)30-26/h2-18H,1H3,(H,28,32)(H,29,30)
InChIKeyGOWIHULBRINHCS-UHFFFAOYSA-N
XLogP5.31
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 3501907) is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is GOWIHULBRINHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3S/c1-31(22-7-3-2-4-8-22)35(33,34)23-17-13-20(14-18-23)27(32)28-21-15-11-19(12-16-21)26-29-24-9-5-6-10-25(24)30-26/h2-18H,1H3,(H,28,32)(H,29,30).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 482.57 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3501907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).