N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide

C25H23Cl2N5O4S — CID 147754001

IUPACN-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(-c2cccc3c2[nH]c(=O)n3C2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C25H23Cl2N5O4S/c26-20-9-6-16(14-21(20)27)29-24(33)31-12-10-17(11-13-31)32-22-3-1-2-19(23(22)30-25(32)34)15-4-7-18(8-5-15)37(28,35)36/h1-9,14,17H,10-13H2,(H,29,33)(H,30,34)(H2,28,35,36)
InChIKeyHCTIOTUZEGFNTB-UHFFFAOYSA-N
MW560.46 g/mol
LogP4.82
Rot. Bonds4

About N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide

N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide (PubChem CID 147754001) has the molecular formula C25H23Cl2N5O4S and a molecular weight of 560.46 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide
PubChem CID147754001
Molecular FormulaC25H23Cl2N5O4S
Molecular Weight560.46 g/mol
Exact Mass559.08
IUPAC NameN-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(-c2cccc3c2[nH]c(=O)n3C2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C25H23Cl2N5O4S/c26-20-9-6-16(14-21(20)27)29-24(33)31-12-10-17(11-13-31)32-22-3-1-2-19(23(22)30-25(32)34)15-4-7-18(8-5-15)37(28,35)36/h1-9,14,17H,10-13H2,(H,29,33)(H,30,34)(H2,28,35,36)
InChIKeyHCTIOTUZEGFNTB-UHFFFAOYSA-N
XLogP4.82
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.46
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide (CID 147754001) is N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide is NS(=O)(=O)c1ccc(-c2cccc3c2[nH]c(=O)n3C2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide?
The InChIKey is HCTIOTUZEGFNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O4S/c26-20-9-6-16(14-21(20)27)29-24(33)31-12-10-17(11-13-31)32-22-3-1-2-19(23(22)30-25(32)34)15-4-7-18(8-5-15)37(28,35)36/h1-9,14,17H,10-13H2,(H,29,33)(H,30,34)(H2,28,35,36).
What are the key properties of N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide has a molecular weight of 560.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 147754001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).