2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide

C25H17Cl2N3O4S — CID 172682524

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide
SMILESO=Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c2Cl)c1
InChIInChI=1S/C25H17Cl2N3O4S/c26-21-11-10-17(14-20(21)22-8-1-2-12-28-22)29-25(32)19-7-4-9-23(24(19)27)35(33,34)30-18-6-3-5-16(13-18)15-31/h1-15,30H,(H,29,32)
InChIKeyAPEQPECARAYVAG-UHFFFAOYSA-N
MW526.40 g/mol
LogP5.92
Rot. Bonds7

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide (PubChem CID 172682524) has the molecular formula C25H17Cl2N3O4S and a molecular weight of 526.40 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide
PubChem CID172682524
Molecular FormulaC25H17Cl2N3O4S
Molecular Weight526.40 g/mol
Exact Mass525.03
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide
SMILESO=Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c2Cl)c1
InChIInChI=1S/C25H17Cl2N3O4S/c26-21-11-10-17(14-20(21)22-8-1-2-12-28-22)29-25(32)19-7-4-9-23(24(19)27)35(33,34)30-18-6-3-5-16(13-18)15-31/h1-15,30H,(H,29,32)
InChIKeyAPEQPECARAYVAG-UHFFFAOYSA-N
XLogP5.92
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.40
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]sulfonylamino]benzamide
CID 123752479
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]sulfamoyl]benzamide
CID 123578164
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2,3-dichlorophenyl)-4-methylsulfonylbenzamide
CID 70797228
2-chloro-N-(4-chloro-3-pyridin-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-(trideuterio(113C)methylsulfonyl)benzamide
CID 91971550
N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
CID 58614661
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide
CID 118014894
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
CID 58614842
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
CID 70797233
methyl (E)-3-[3-[[3-chloro-4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylmethyl]phenyl]prop-2-enoate
CID 161416397

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide (CID 172682524) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide is O=Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c2Cl)c1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide?
The InChIKey is APEQPECARAYVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2N3O4S/c26-21-11-10-17(14-20(21)22-8-1-2-12-28-22)29-25(32)19-7-4-9-23(24(19)27)35(33,34)30-18-6-3-5-16(13-18)15-31/h1-15,30H,(H,29,32).
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide has a molecular weight of 526.40 g/mol, XLogP of 5.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-3-[(3-formylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 172682524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).