1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine

C19H23ClN2O2S — CID 19682893

IUPAC1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1
InChIInChI=1S/C19H23ClN2O2S/c1-3-16-5-8-18(9-6-16)25(23,24)22-12-10-21(11-13-22)19-14-17(20)7-4-15(19)2/h4-9,14H,3,10-13H2,1-2H3
InChIKeyFWNZEQWVBZSNAD-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.72
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine

1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine (PubChem CID 19682893) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
PubChem CID19682893
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1
InChIInChI=1S/C19H23ClN2O2S/c1-3-16-5-8-18(9-6-16)25(23,24)22-12-10-21(11-13-22)19-14-17(20)7-4-15(19)2/h4-9,14H,3,10-13H2,1-2H3
InChIKeyFWNZEQWVBZSNAD-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
CID 1255328
1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 2198495
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075942
5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 20958802
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113081413
6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7359204
1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 17378936
1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 22208104
(3R)-5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-dihydroindol-2-one
CID 98284359

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine (CID 19682893) is 1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine is CCc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The InChIKey is FWNZEQWVBZSNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-3-16-5-8-18(9-6-16)25(23,24)22-12-10-21(11-13-22)19-14-17(20)7-4-15(19)2/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine has a molecular weight of 378.93 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 19682893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).