5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide

C23H20ClN3O4S — CID 26591753

IUPAC5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C23H20ClN3O4S/c1-2-15-27(19-11-7-4-8-12-19)32(30,31)21-16-18(13-14-20(21)24)23(29)26-25-22(28)17-9-5-3-6-10-17/h2-14,16H,1,15H2,(H,25,28)(H,26,29)
InChIKeyLEPVBYAYSYPBSN-UHFFFAOYSA-N
MW469.95 g/mol
LogP3.80
Rot. Bonds7

About 5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide

5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 26591753) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is 5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
PubChem CID26591753
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC Name5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C23H20ClN3O4S/c1-2-15-27(19-11-7-4-8-12-19)32(30,31)21-16-18(13-14-20(21)24)23(29)26-25-22(28)17-9-5-3-6-10-17/h2-14,16H,1,15H2,(H,25,28)(H,26,29)
InChIKeyLEPVBYAYSYPBSN-UHFFFAOYSA-N
XLogP3.80
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 26533725
4-chloro-N-(2-chlorophenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26575051
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
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
CID 52754440
2-oxopropyl 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 42970176
4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 35029142
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
2-chloro-N-(4-fluorophenyl)-5-[[[2-(2-methoxyphenoxy)acetyl]amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 5156730
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 55948031
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 5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide (CID 26591753) is 5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide is C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of 5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is LEPVBYAYSYPBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c1-2-15-27(19-11-7-4-8-12-19)32(30,31)21-16-18(13-14-20(21)24)23(29)26-25-22(28)17-9-5-3-6-10-17/h2-14,16H,1,15H2,(H,25,28)(H,26,29).
What are the key properties of 5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide?
5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 469.95 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 26591753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).