1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine

C17H21ClN2O2S2 — CID 113076892

IUPAC1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)s1
InChIInChI=1S/C17H21ClN2O2S2/c1-3-15-6-7-17(23-15)24(21,22)20-10-8-19(9-11-20)14-5-4-13(2)16(18)12-14/h4-7,12H,3,8-11H2,1-2H3
InChIKeyDJBGHJUHZRBKHU-UHFFFAOYSA-N
MW384.95 g/mol
LogP3.78
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine

1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine (PubChem CID 113076892) has the molecular formula C17H21ClN2O2S2 and a molecular weight of 384.95 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
PubChem CID113076892
Molecular FormulaC17H21ClN2O2S2
Molecular Weight384.95 g/mol
Exact Mass384.07
IUPAC Name1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)s1
InChIInChI=1S/C17H21ClN2O2S2/c1-3-15-6-7-17(23-15)24(21,22)20-10-8-19(9-11-20)14-5-4-13(2)16(18)12-14/h4-7,12H,3,8-11H2,1-2H3
InChIKeyDJBGHJUHZRBKHU-UHFFFAOYSA-N
XLogP3.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076664
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine
CID 113075282
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075957
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333152
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113075955
4-[2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 122333647
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2137811
1-(3-chloro-4-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1289904

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine (CID 113076892) is 1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine is CCc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)s1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The InChIKey is DJBGHJUHZRBKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S2/c1-3-15-6-7-17(23-15)24(21,22)20-10-8-19(9-11-20)14-5-4-13(2)16(18)12-14/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine has a molecular weight of 384.95 g/mol, XLogP of 3.78, 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-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 113076892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).