4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide

C18H19N3O4S — CID 146048142

IUPAC4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C18H19N3O4S/c19-26(24,25)16-8-6-15(7-9-16)18(23)21-12-10-20(11-13-21)17(22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,19,24,25)
InChIKeyTXDAONSRHLRCLF-UHFFFAOYSA-N
MW373.43 g/mol
LogP0.93
Rot. Bonds3

About 4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide

4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 146048142) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID146048142
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C18H19N3O4S/c19-26(24,25)16-8-6-15(7-9-16)18(23)21-12-10-20(11-13-21)17(22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,19,24,25)
InChIKeyTXDAONSRHLRCLF-UHFFFAOYSA-N
XLogP0.93
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoylbenzenesulfonamide
CID 70209200
(3aR,6aS)-2-(4-sulfamoylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 141411999
4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 90516591
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9496000
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
methyl 2-(4-benzoylpiperazin-1-yl)-5-sulfamoylbenzoate
CID 55534420
4-[(3S)-4-acetyl-3-benzylpiperazine-1-carbonyl]benzenesulfonamide
CID 134158397
3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 91911239
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-phenylmethanone
CID 4604357
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18286340
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide (CID 146048142) is 4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is TXDAONSRHLRCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c19-26(24,25)16-8-6-15(7-9-16)18(23)21-12-10-20(11-13-21)17(22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,19,24,25).
What are the key properties of 4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide?
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 146048142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).