1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide

C16H20ClN5O3S — CID 120802538

IUPAC1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(CCC(=O)N2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C16H20ClN5O3S/c17-13-3-1-2-12(8-13)15-10-19-5-7-22(15)16(23)4-6-21-11-14(9-20-21)26(18,24)25/h1-3,8-9,11,15,19H,4-7,10H2,(H2,18,24,25)
InChIKeyAVXCLVIGFDQXJS-UHFFFAOYSA-N
MW397.89 g/mol
LogP0.75
Rot. Bonds5

About 1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide

1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide (PubChem CID 120802538) has the molecular formula C16H20ClN5O3S and a molecular weight of 397.89 g/mol. Its IUPAC name is 1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide
PubChem CID120802538
Molecular FormulaC16H20ClN5O3S
Molecular Weight397.89 g/mol
Exact Mass397.10
IUPAC Name1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(CCC(=O)N2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C16H20ClN5O3S/c17-13-3-1-2-12(8-13)15-10-19-5-7-22(15)16(23)4-6-21-11-14(9-20-21)26(18,24)25/h1-3,8-9,11,15,19H,4-7,10H2,(H2,18,24,25)
InChIKeyAVXCLVIGFDQXJS-UHFFFAOYSA-N
XLogP0.75
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromopyrazol-1-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 120802292
2-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione;hydrochloride
CID 120802401
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
[5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride
CID 120803550
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120802984
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-5-yl)propan-1-one
CID 120803387
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-propylsulfonylethanone
CID 120801882
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
5-[2-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120801869
4-[2-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120802257

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide (CID 120802538) is 1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(CCC(=O)N2CCNCC2c2cccc(Cl)c2)c1.
What is the InChIKey of 1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide?
The InChIKey is AVXCLVIGFDQXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O3S/c17-13-3-1-2-12(8-13)15-10-19-5-7-22(15)16(23)4-6-21-11-14(9-20-21)26(18,24)25/h1-3,8-9,11,15,19H,4-7,10H2,(H2,18,24,25).
What are the key properties of 1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide?
1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide has a molecular weight of 397.89 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 120802538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).