N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide

C23H22N4O4S — CID 31983039

IUPACN-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESO=C1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc2)CCN1
InChIInChI=1S/C23H22N4O4S/c28-22-16-27(15-14-24-22)32(30,31)21-12-6-17(7-13-21)23(29)26-20-10-8-19(9-11-20)25-18-4-2-1-3-5-18/h1-13,25H,14-16H2,(H,24,28)(H,26,29)
InChIKeyLKUSISQNYSGCLR-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.80
Rot. Bonds6

About N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide

N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide (PubChem CID 31983039) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
PubChem CID31983039
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESO=C1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc2)CCN1
InChIInChI=1S/C23H22N4O4S/c28-22-16-27(15-14-24-22)32(30,31)21-12-6-17(7-13-21)23(29)26-20-10-8-19(9-11-20)25-18-4-2-1-3-5-18/h1-13,25H,14-16H2,(H,24,28)(H,26,29)
InChIKeyLKUSISQNYSGCLR-UHFFFAOYSA-N
XLogP2.80
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31856760
N-[4-(azepan-1-yl)phenyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55596636
N-(2,3-dihydro-1H-inden-5-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31898842
4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55596683
4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 31883493
(2S)-3-methyl-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 119360362
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46468044
4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one
CID 43154652
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-methoxy-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 120703077
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 119457140

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide (CID 31983039) is N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide is O=C1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc2)CCN1.
What is the InChIKey of N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The InChIKey is LKUSISQNYSGCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c28-22-16-27(15-14-24-22)32(30,31)21-12-6-17(7-13-21)23(29)26-20-10-8-19(9-11-20)25-18-4-2-1-3-5-18/h1-13,25H,14-16H2,(H,24,28)(H,26,29).
What are the key properties of N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide has a molecular weight of 450.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 31983039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).