1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine

C19H20ClFN2O2S — CID 7510298

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H20ClFN2O2S/c20-18-15-17(8-9-19(18)21)26(24,25)23-13-11-22(12-14-23)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/b7-4+
InChIKeyLNTBEWKRBDVSNU-QPJJXVBHSA-N
MW394.90 g/mol
LogP3.50
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine

1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 7510298) has the molecular formula C19H20ClFN2O2S and a molecular weight of 394.90 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID7510298
Molecular FormulaC19H20ClFN2O2S
Molecular Weight394.90 g/mol
Exact Mass394.09
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H20ClFN2O2S/c20-18-15-17(8-9-19(18)21)26(24,25)23-13-11-22(12-14-23)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/b7-4+
InChIKeyLNTBEWKRBDVSNU-QPJJXVBHSA-N
XLogP3.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-[(4-chlorophenyl)sulfonyl]piperazine
CID 985373
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 3949231
1-(4-Chlorobenzenesulfonyl)-4-(2-phenylethyl)piperazine
CID 8159803
(E)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 2634560
1-({4'-Chloro-[1,1'-biphenyl]-4-yl}sulfonyl)-4-methylpiperazine
CID 983834
1-(3-Chlorobenzyl)-4-(phenylsulfonyl)piperazine
CID 1364863
1-(2-Chlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 2169034
1-[4-Chlorophenylsulfonyl]-4-[4-(dimethylaminomethyl)phenylmethyl]-piperazine
CID 25022620
4-(2,4-Difluorophenethyl)-1-(2-chlorophenylsulfonyl)piperidine
CID 44411930
(E)-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 26204394
(E)-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 26204807
(E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(4-chloro-2-fluorophenyl)prop-2-en-1-one
CID 73330411

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 7510298) is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is LNTBEWKRBDVSNU-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H20ClFN2O2S/c20-18-15-17(8-9-19(18)21)26(24,25)23-13-11-22(12-14-23)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/b7-4+.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 394.90 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 7510298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).