2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide

C22H19ClN4O4S — CID 26533725

IUPAC2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccn2)ccc1Cl
InChIInChI=1S/C22H19ClN4O4S/c1-2-14-27(17-8-4-3-5-9-17)32(30,31)20-15-16(11-12-18(20)23)21(28)25-26-22(29)19-10-6-7-13-24-19/h2-13,15H,1,14H2,(H,25,28)(H,26,29)
InChIKeyYRBPAAQOULGMOQ-UHFFFAOYSA-N
MW470.94 g/mol
LogP3.19
Rot. Bonds7

About 2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide

2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 26533725) has the molecular formula C22H19ClN4O4S and a molecular weight of 470.94 g/mol. Its IUPAC name is 2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID26533725
Molecular FormulaC22H19ClN4O4S
Molecular Weight470.94 g/mol
Exact Mass470.08
IUPAC Name2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccn2)ccc1Cl
InChIInChI=1S/C22H19ClN4O4S/c1-2-14-27(17-8-4-3-5-9-17)32(30,31)20-15-16(11-12-18(20)23)21(28)25-26-22(29)19-10-6-7-13-24-19/h2-13,15H,1,14H2,(H,25,28)(H,26,29)
InChIKeyYRBPAAQOULGMOQ-UHFFFAOYSA-N
XLogP3.19
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.94
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)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

Related Compounds

5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 26591753
4-chloro-N-(2-chlorophenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26575051
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
CID 52754440
4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 35029142
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
CID 32736718
N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26253060
2-oxopropyl 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 42970176
2-chloro-N-(4-fluorophenyl)-5-[[[2-(2-methoxyphenoxy)acetyl]amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 5156730
4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 55642713
4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4782416
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16552544
4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 31213510

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide (CID 26533725) is 2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide is C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is YRBPAAQOULGMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4S/c1-2-14-27(17-8-4-3-5-9-17)32(30,31)20-15-16(11-12-18(20)23)21(28)25-26-22(29)19-10-6-7-13-24-19/h2-13,15H,1,14H2,(H,25,28)(H,26,29).
What are the key properties of 2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 470.94 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 26533725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).