N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide

C23H21ClN2O4S — CID 134059345

IUPACN-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C23H21ClN2O4S/c1-3-26(19-10-5-4-6-11-19)31(29,30)20-12-13-22(24)21(15-20)23(28)25-18-9-7-8-17(14-18)16(2)27/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyMPMDCNJUCVIMAS-UHFFFAOYSA-N
MW456.95 g/mol
LogP5.01
Rot. Bonds7

About N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide

N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 134059345) has the molecular formula C23H21ClN2O4S and a molecular weight of 456.95 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID134059345
Molecular FormulaC23H21ClN2O4S
Molecular Weight456.95 g/mol
Exact Mass456.09
IUPAC NameN-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C23H21ClN2O4S/c1-3-26(19-10-5-4-6-11-19)31(29,30)20-12-13-22(24)21(15-20)23(28)25-18-9-7-8-17(14-18)16(2)27/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyMPMDCNJUCVIMAS-UHFFFAOYSA-N
XLogP5.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.95
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846
N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide
CID 2404495
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
CID 2344205
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide
CID 7962770
N-(3-acetylphenyl)-2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 2711528
N-[4-(1-adamantyl)phenyl]-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 4285874
2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855582
2-chloro-N-[(1R)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855589
N-(3-acetylphenyl)-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 18097238
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide (CID 134059345) is N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is MPMDCNJUCVIMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4S/c1-3-26(19-10-5-4-6-11-19)31(29,30)20-12-13-22(24)21(15-20)23(28)25-18-9-7-8-17(14-18)16(2)27/h4-15H,3H2,1-2H3,(H,25,28).
What are the key properties of N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide?
N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 456.95 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 134059345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).