1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine

C19H23ClN2O2S — CID 113076262

IUPAC1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine
SMILESCC(C)c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H23ClN2O2S/c1-15(2)16-6-8-18(9-7-16)21-10-12-22(13-11-21)25(23,24)19-5-3-4-17(20)14-19/h3-9,14-15H,10-13H2,1-2H3
InChIKeyMDCRJLOZMMODDB-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.97
Rot. Bonds4

About 1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine

1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine (PubChem CID 113076262) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine
PubChem CID113076262
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine
SMILESCC(C)c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H23ClN2O2S/c1-15(2)16-6-8-18(9-7-16)21-10-12-22(13-11-21)25(23,24)19-5-3-4-17(20)14-19/h3-9,14-15H,10-13H2,1-2H3
InChIKeyMDCRJLOZMMODDB-UHFFFAOYSA-N
XLogP3.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
methyl 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]benzoate
CID 113078610
1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 19132655
1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride
CID 163331804
1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine
CID 92770848
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole
CID 110643459
4-(1-chloroethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 106839553
1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
CID 53072037
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361418
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
methyl-methylidene-oxo-[4-(4-propan-2-ylphenyl)piperazin-1-yl]-λ6-sulfane
CID 157423140

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine (CID 113076262) is 1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine is CC(C)c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine?
The InChIKey is MDCRJLOZMMODDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-15(2)16-6-8-18(9-7-16)21-10-12-22(13-11-21)25(23,24)19-5-3-4-17(20)14-19/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine?
1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine has a molecular weight of 378.93 g/mol, XLogP of 3.97, 4 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-(4-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 113076262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).