4-piperazin-1-ylsulfonylbenzamide

C11H15N3O3S — CID 7131265

IUPAC4-piperazin-1-ylsulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C11H15N3O3S/c12-11(15)9-1-3-10(4-2-9)18(16,17)14-7-5-13-6-8-14/h1-4,13H,5-8H2,(H2,12,15)
InChIKeyXRNAJCWCVFBQLJ-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.62
Rot. Bonds3

About 4-piperazin-1-ylsulfonylbenzamide

4-piperazin-1-ylsulfonylbenzamide (PubChem CID 7131265) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-piperazin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-piperazin-1-ylsulfonylbenzamide
PubChem CID7131265
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name4-piperazin-1-ylsulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C11H15N3O3S/c12-11(15)9-1-3-10(4-2-9)18(16,17)14-7-5-13-6-8-14/h1-4,13H,5-8H2,(H2,12,15)
InChIKeyXRNAJCWCVFBQLJ-UHFFFAOYSA-N
XLogP-0.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone
CID 82165047
2-methyl-1-(4-piperazin-1-ylsulfonylphenyl)propan-1-one
CID 82164843
4-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)benzamide
CID 115314215
(4-piperazin-1-ylsulfonylphenyl)thiourea
CID 169360083
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzamide
CID 103871349
4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119980481
[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119963161
3-piperazin-1-ylsulfonylbenzoic acid
CID 18801880
4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
CID 43589644

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylsulfonylbenzamide?
The IUPAC name of 4-piperazin-1-ylsulfonylbenzamide (CID 7131265) is 4-piperazin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-piperazin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-piperazin-1-ylsulfonylbenzamide is NC(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-piperazin-1-ylsulfonylbenzamide?
The InChIKey is XRNAJCWCVFBQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-11(15)9-1-3-10(4-2-9)18(16,17)14-7-5-13-6-8-14/h1-4,13H,5-8H2,(H2,12,15).
What are the key properties of 4-piperazin-1-ylsulfonylbenzamide?
4-piperazin-1-ylsulfonylbenzamide has a molecular weight of 269.33 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylsulfonylbenzamide is sourced from PubChem (CID 7131265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).