N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide

C24H23N3O4S — CID 46536984

IUPACN-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C24H23N3O4S/c28-23(19-7-3-1-4-8-19)25-21-13-11-20(12-14-21)24(29)26-15-17-27(18-16-26)32(30,31)22-9-5-2-6-10-22/h1-14H,15-18H2,(H,25,28)
InChIKeyGJNAEXZOIDBXKA-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.09
Rot. Bonds5

About N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide

N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide (PubChem CID 46536984) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide
PubChem CID46536984
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C24H23N3O4S/c28-23(19-7-3-1-4-8-19)25-21-13-11-20(12-14-21)24(29)26-15-17-27(18-16-26)32(30,31)22-9-5-2-6-10-22/h1-14H,15-18H2,(H,25,28)
InChIKeyGJNAEXZOIDBXKA-UHFFFAOYSA-N
XLogP3.09
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 46564070
N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide
CID 9495978
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 155169604
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
[4-(benzenesulfonyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347167
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
N-[4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 26202323
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 4921124

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide (CID 46536984) is N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is GJNAEXZOIDBXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c28-23(19-7-3-1-4-8-19)25-21-13-11-20(12-14-21)24(29)26-15-17-27(18-16-26)32(30,31)22-9-5-2-6-10-22/h1-14H,15-18H2,(H,25,28).
What are the key properties of N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide?
N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 46536984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).