3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide

C23H22ClN3O4S — CID 42992579

IUPAC3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cccc(NC(C)=O)c2)ccc1Cl
InChIInChI=1S/C23H22ClN3O4S/c1-3-27(20-10-5-4-6-11-20)32(30,31)22-15-19(12-13-21(22)24)26-23(29)17-8-7-9-18(14-17)25-16(2)28/h4-15H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWZLNOTFOXQYOIH-UHFFFAOYSA-N
MW471.97 g/mol
LogP4.77
Rot. Bonds7

About 3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide

3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide (PubChem CID 42992579) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is 3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
PubChem CID42992579
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC Name3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cccc(NC(C)=O)c2)ccc1Cl
InChIInChI=1S/C23H22ClN3O4S/c1-3-27(20-10-5-4-6-11-20)32(30,31)22-15-19(12-13-21(22)24)26-23(29)17-8-7-9-18(14-17)25-16(2)28/h4-15H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWZLNOTFOXQYOIH-UHFFFAOYSA-N
XLogP4.77
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 43054842
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846
N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 134059345
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide
CID 43030093
2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 52893457
[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
CID 7870484
N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
CID 5169190
N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630897
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 36589093
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide (CID 42992579) is 3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cccc(NC(C)=O)c2)ccc1Cl.
What is the InChIKey of 3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is WZLNOTFOXQYOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c1-3-27(20-10-5-4-6-11-20)32(30,31)22-15-19(12-13-21(22)24)26-23(29)17-8-7-9-18(14-17)25-16(2)28/h4-15H,3H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide?
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 471.97 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 42992579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).