N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide

C19H15ClN4O5S — CID 24672767

IUPACN-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H15ClN4O5S/c20-14-5-7-15(8-6-14)24-30(28,29)16-3-1-2-12(10-16)18(26)22-23-19(27)13-4-9-17(25)21-11-13/h1-11,24H,(H,21,25)(H,22,26)(H,23,27)
InChIKeySWKXODFHZPFNCK-UHFFFAOYSA-N
MW446.87 g/mol
LogP1.90
Rot. Bonds5

About N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide

N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 24672767) has the molecular formula C19H15ClN4O5S and a molecular weight of 446.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID24672767
Molecular FormulaC19H15ClN4O5S
Molecular Weight446.87 g/mol
Exact Mass446.05
IUPAC NameN-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H15ClN4O5S/c20-14-5-7-15(8-6-14)24-30(28,29)16-3-1-2-12(10-16)18(26)22-23-19(27)13-4-9-17(25)21-11-13/h1-11,24H,(H,21,25)(H,22,26)(H,23,27)
InChIKeySWKXODFHZPFNCK-UHFFFAOYSA-N
XLogP1.90
TPSA137.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 24672767) is N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide is O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is SWKXODFHZPFNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O5S/c20-14-5-7-15(8-6-14)24-30(28,29)16-3-1-2-12(10-16)18(26)22-23-19(27)13-4-9-17(25)21-11-13/h1-11,24H,(H,21,25)(H,22,26)(H,23,27).
What are the key properties of N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 446.87 g/mol, XLogP of 1.90, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 24672767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).