N-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide

C21H17NO4S — CID 1119052

IUPACN-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H17NO4S/c1-15(23)16-7-11-18(12-8-16)22-21(24)17-9-13-20(14-10-17)27(25,26)19-5-3-2-4-6-19/h2-14H,1H3,(H,22,24)
InChIKeyWZHOKMQHLACREW-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.97
Rot. Bonds5

About N-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide

N-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide (PubChem CID 1119052) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide
PubChem CID1119052
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC NameN-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H17NO4S/c1-15(23)16-7-11-18(12-8-16)22-21(24)17-9-13-20(14-10-17)27(25,26)19-5-3-2-4-6-19/h2-14H,1H3,(H,22,24)
InChIKeyWZHOKMQHLACREW-UHFFFAOYSA-N
XLogP3.97
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide?
The IUPAC name of N-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide (CID 1119052) is N-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide is CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide?
The InChIKey is WZHOKMQHLACREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4S/c1-15(23)16-7-11-18(12-8-16)22-21(24)17-9-13-20(14-10-17)27(25,26)19-5-3-2-4-6-19/h2-14H,1H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide?
N-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide has a molecular weight of 379.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(benzenesulfonyl)benzamide is sourced from PubChem (CID 1119052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).