N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C23H20ClN3O4S — CID 26253060

IUPACN-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1Cl
InChIInChI=1S/C23H20ClN3O4S/c1-2-14-27(19-6-4-3-5-7-19)32(30,31)21-15-17(10-13-20(21)24)23(29)26-18-11-8-16(9-12-18)22(25)28/h2-13,15H,1,14H2,(H2,25,28)(H,26,29)
InChIKeyALJSDVLVOUAKGL-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.07
Rot. Bonds8

About N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 26253060) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID26253060
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC NameN-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1Cl
InChIInChI=1S/C23H20ClN3O4S/c1-2-14-27(19-6-4-3-5-7-19)32(30,31)21-15-17(10-13-20(21)24)23(29)26-18-11-8-16(9-12-18)22(25)28/h2-13,15H,1,14H2,(H2,25,28)(H,26,29)
InChIKeyALJSDVLVOUAKGL-UHFFFAOYSA-N
XLogP4.07
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-chlorophenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26575051
5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 26591753
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
CID 52754440
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
CID 32736718
4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide
CID 26683589
4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 35029142
2-oxopropyl 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 42970176
2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 26533725
N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide
CID 9441812
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
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 55948031

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 26253060) is N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1Cl.
What is the InChIKey of N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is ALJSDVLVOUAKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c1-2-14-27(19-6-4-3-5-7-19)32(30,31)21-15-17(10-13-20(21)24)23(29)26-18-11-8-16(9-12-18)22(25)28/h2-13,15H,1,14H2,(H2,25,28)(H,26,29).
What are the key properties of N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 469.95 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 26253060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).