N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide

C25H19ClN4O4S — CID 10207569

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C25H19ClN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32)
InChIKeyGKCSOJWDPJQQEU-UHFFFAOYSA-N
MW506.97 g/mol
LogP4.55
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide (PubChem CID 10207569) has the molecular formula C25H19ClN4O4S and a molecular weight of 506.97 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
PubChem CID10207569
Molecular FormulaC25H19ClN4O4S
Molecular Weight506.97 g/mol
Exact Mass506.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C25H19ClN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32)
InChIKeyGKCSOJWDPJQQEU-UHFFFAOYSA-N
XLogP4.55
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.97
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide (CID 10207569) is N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide is NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide?
The InChIKey is GKCSOJWDPJQQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide has a molecular weight of 506.97 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide is sourced from PubChem (CID 10207569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).