N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide

C27H21ClN4O3S — CID 2336107

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C27H21ClN4O3S/c1-32(20-7-3-2-4-8-20)36(34,35)21-15-16-23(28)22(17-21)27(33)29-19-13-11-18(12-14-19)26-30-24-9-5-6-10-25(24)31-26/h2-17H,1H3,(H,29,33)(H,30,31)
InChIKeyHIVWZGAUBWTWOS-UHFFFAOYSA-N
MW517.01 g/mol
LogP5.96
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2336107) has the molecular formula C27H21ClN4O3S and a molecular weight of 517.01 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2336107
Molecular FormulaC27H21ClN4O3S
Molecular Weight517.01 g/mol
Exact Mass516.10
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C27H21ClN4O3S/c1-32(20-7-3-2-4-8-20)36(34,35)21-15-16-23(28)22(17-21)27(33)29-19-13-11-18(12-14-19)26-30-24-9-5-6-10-25(24)31-26/h2-17H,1H3,(H,29,33)(H,30,31)
InChIKeyHIVWZGAUBWTWOS-UHFFFAOYSA-N
XLogP5.96
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.01
LogP ≤ 55.96
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]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide (CID 2336107) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is HIVWZGAUBWTWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O3S/c1-32(20-7-3-2-4-8-20)36(34,35)21-15-16-23(28)22(17-21)27(33)29-19-13-11-18(12-14-19)26-30-24-9-5-6-10-25(24)31-26/h2-17H,1H3,(H,29,33)(H,30,31).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 517.01 g/mol, XLogP of 5.96, 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]-2-chloro-5-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2336107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).