1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

C15H19ClN4O2S — CID 71783854

IUPAC1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C15H19ClN4O2S/c16-14-3-1-4-15(13-14)23(21,22)20-11-8-18(9-12-20)7-10-19-6-2-5-17-19/h1-6,13H,7-12H2
InChIKeyOUPYRRDWAVZVBA-UHFFFAOYSA-N
MW354.86 g/mol
LogP1.54
Rot. Bonds5

About 1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 71783854) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
PubChem CID71783854
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C15H19ClN4O2S/c16-14-3-1-4-15(13-14)23(21,22)20-11-8-18(9-12-20)7-10-19-6-2-5-17-19/h1-6,13H,7-12H2
InChIKeyOUPYRRDWAVZVBA-UHFFFAOYSA-N
XLogP1.54
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorobenzyl)-4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6467892
1-(4-Chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
CID 6465421
1-(3-chlorophenyl)-4-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperazine
CID 6468734
4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 19577768
2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204139
2-chloro-4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 45811498
3-chloro-2-cyano-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 56805672
1-(2-(1H-pyrazol-1-yl)ethyl)-4-((2-fluorophenyl)sulfonyl)piperazine
CID 71783850
1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
CID 110259805
5-Chloro-2-Fluoro-N-[1-(4-Piperidyl)pyrazol-4-Yl]benzenesulfonamide
CID 75815412
4-((1H-pyrazol-1-yl)methyl)-1-((3-chloro-2-methylphenyl)sulfonyl)piperidine
CID 71781203
3-chloro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810305

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (CID 71783854) is 1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is O=S(=O)(c1cccc(Cl)c1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is OUPYRRDWAVZVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c16-14-3-1-4-15(13-14)23(21,22)20-11-8-18(9-12-20)7-10-19-6-2-5-17-19/h1-6,13H,7-12H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 354.86 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 71783854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).