N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide

C23H20N4O3S — CID 39911274

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C23H20N4O3S/c28-23(16-4-3-5-19(14-16)31(29,30)27-18-12-13-18)24-17-10-8-15(9-11-17)22-25-20-6-1-2-7-21(20)26-22/h1-11,14,18,27H,12-13H2,(H,24,28)(H,25,26)
InChIKeyOIUTVVGCAGGJIR-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.92
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 39911274) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide
PubChem CID39911274
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C23H20N4O3S/c28-23(16-4-3-5-19(14-16)31(29,30)27-18-12-13-18)24-17-10-8-15(9-11-17)22-25-20-6-1-2-7-21(20)26-22/h1-11,14,18,27H,12-13H2,(H,24,28)(H,25,26)
InChIKeyOIUTVVGCAGGJIR-UHFFFAOYSA-N
XLogP3.92
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide (CID 39911274) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is OIUTVVGCAGGJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c28-23(16-4-3-5-19(14-16)31(29,30)27-18-12-13-18)24-17-10-8-15(9-11-17)22-25-20-6-1-2-7-21(20)26-22/h1-11,14,18,27H,12-13H2,(H,24,28)(H,25,26).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 432.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 39911274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).