N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide

C24H22ClN5O3S — CID 58614624

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C24H22ClN5O3S/c25-22-10-7-19(16-21(22)23-4-1-2-11-27-23)29-24(31)18-5-8-20(9-6-18)34(32,33)28-12-3-14-30-15-13-26-17-30/h1-2,4-11,13,15-17,28H,3,12,14H2,(H,29,31)
InChIKeyHLBLIQODRYPKTD-UHFFFAOYSA-N
MW495.99 g/mol
LogP4.22
Rot. Bonds9

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide (PubChem CID 58614624) has the molecular formula C24H22ClN5O3S and a molecular weight of 495.99 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide
PubChem CID58614624
Molecular FormulaC24H22ClN5O3S
Molecular Weight495.99 g/mol
Exact Mass495.11
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C24H22ClN5O3S/c25-22-10-7-19(16-21(22)23-4-1-2-11-27-23)29-24(31)18-5-8-20(9-6-18)34(32,33)28-12-3-14-30-15-13-26-17-30/h1-2,4-11,13,15-17,28H,3,12,14H2,(H,29,31)
InChIKeyHLBLIQODRYPKTD-UHFFFAOYSA-N
XLogP4.22
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide (CID 58614624) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide is O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide?
The InChIKey is HLBLIQODRYPKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3S/c25-22-10-7-19(16-21(22)23-4-1-2-11-27-23)29-24(31)18-5-8-20(9-6-18)34(32,33)28-12-3-14-30-15-13-26-17-30/h1-2,4-11,13,15-17,28H,3,12,14H2,(H,29,31).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide has a molecular weight of 495.99 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide is sourced from PubChem (CID 58614624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).