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

C24H18ClN5O4S — CID 22596321

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ncccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H18ClN5O4S/c25-17-11-12-21(28-14-17)29-24(32)19-5-3-13-27-22(19)30-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H2,26,33,34)(H,27,30,31)(H,28,29,32)
InChIKeyNRYPQCIFWFTPKX-UHFFFAOYSA-N
MW507.96 g/mol
LogP3.95
Rot. Bonds6

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

N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-carboxamide (PubChem CID 22596321) has the molecular formula C24H18ClN5O4S and a molecular weight of 507.96 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-carboxamide
PubChem CID22596321
Molecular FormulaC24H18ClN5O4S
Molecular Weight507.96 g/mol
Exact Mass507.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ncccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H18ClN5O4S/c25-17-11-12-21(28-14-17)29-24(32)19-5-3-13-27-22(19)30-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H2,26,33,34)(H,27,30,31)(H,28,29,32)
InChIKeyNRYPQCIFWFTPKX-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)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-carboxamide (CID 22596321) is N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ncccc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-carboxamide?
The InChIKey is NRYPQCIFWFTPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O4S/c25-17-11-12-21(28-14-17)29-24(32)19-5-3-13-27-22(19)30-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H2,26,33,34)(H,27,30,31)(H,28,29,32).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-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)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 22596321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).