N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide

C24H18ClN5O4S — CID 18728139

IUPACN-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H18ClN5O4S/c25-17-11-12-21(28-14-17)30-24(32)22-19(5-3-13-27-22)29-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H,29,31)(H2,26,33,34)(H,28,30,32)
InChIKeyPJABDQSLGPZVHV-UHFFFAOYSA-N
MW507.96 g/mol
LogP3.95
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 18728139) has the molecular formula C24H18ClN5O4S and a molecular weight of 507.96 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID18728139
Molecular FormulaC24H18ClN5O4S
Molecular Weight507.96 g/mol
Exact Mass507.08
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H18ClN5O4S/c25-17-11-12-21(28-14-17)30-24(32)22-19(5-3-13-27-22)29-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H,29,31)(H2,26,33,34)(H,28,30,32)
InChIKeyPJABDQSLGPZVHV-UHFFFAOYSA-N
XLogP3.95
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.96
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide (CID 18728139) is N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is PJABDQSLGPZVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O4S/c25-17-11-12-21(28-14-17)30-24(32)22-19(5-3-13-27-22)29-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H,29,31)(H2,26,33,34)(H,28,30,32).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 507.96 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 18728139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).