1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine

C18H20Cl2N2O3S — CID 1255328

IUPAC1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3S/c1-13-3-4-14(19)11-17(13)21-7-9-22(10-8-21)26(23,24)15-5-6-18(25-2)16(20)12-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyOBBRSENAOIJKOZ-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.82
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine

1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine (PubChem CID 1255328) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
PubChem CID1255328
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3S/c1-13-3-4-14(19)11-17(13)21-7-9-22(10-8-21)26(23,24)15-5-6-18(25-2)16(20)12-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyOBBRSENAOIJKOZ-UHFFFAOYSA-N
XLogP3.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(3,4-dimethylphenyl)piperazine
CID 113075565
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 86959908
1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 19682893
4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine
CID 46088188
1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 2211092
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483
4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 56699214
1-(3-chloro-4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113077138
6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7359204
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
CID 91670116
4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721471

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine (CID 1255328) is 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine is COc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine?
The InChIKey is OBBRSENAOIJKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-13-3-4-14(19)11-17(13)21-7-9-22(10-8-21)26(23,24)15-5-6-18(25-2)16(20)12-15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine?
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine has a molecular weight of 415.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine is sourced from PubChem (CID 1255328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).