1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine

C16H17ClN2O2S — CID 2481211

IUPAC1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H17ClN2O2S/c17-14-5-4-8-16(13-14)22(20,21)19-11-9-18(10-12-19)15-6-2-1-3-7-15/h1-8,13H,9-12H2
InChIKeyUAUBFLCLKAVUKC-UHFFFAOYSA-N
MW336.84 g/mol
LogP2.85
Rot. Bonds3

About 1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine

1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine (PubChem CID 2481211) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
PubChem CID2481211
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H17ClN2O2S/c17-14-5-4-8-16(13-14)22(20,21)19-11-9-18(10-12-19)15-6-2-1-3-7-15/h1-8,13H,9-12H2
InChIKeyUAUBFLCLKAVUKC-UHFFFAOYSA-N
XLogP2.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine
CID 113076262
methyl 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]benzoate
CID 113078610
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 35764669
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 2595436
1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 19132655
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 2369448
1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2462968
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
CID 110295033
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine (CID 2481211) is 1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine is O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is UAUBFLCLKAVUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c17-14-5-4-8-16(13-14)22(20,21)19-11-9-18(10-12-19)15-6-2-1-3-7-15/h1-8,13H,9-12H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine?
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 336.84 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 2481211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).