1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine

C15H17ClN2O2S2 — CID 51182519

IUPAC1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)s1
InChIInChI=1S/C15H17ClN2O2S2/c1-12-6-7-15(21-12)22(19,20)18-10-8-17(9-11-18)14-5-3-2-4-13(14)16/h2-7H,8-11H2,1H3
InChIKeyPSEIFOJURFIXQG-UHFFFAOYSA-N
MW356.90 g/mol
LogP3.22
Rot. Bonds3

About 1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine

1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine (PubChem CID 51182519) has the molecular formula C15H17ClN2O2S2 and a molecular weight of 356.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
PubChem CID51182519
Molecular FormulaC15H17ClN2O2S2
Molecular Weight356.90 g/mol
Exact Mass356.04
IUPAC Name1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)s1
InChIInChI=1S/C15H17ClN2O2S2/c1-12-6-7-15(21-12)22(19,20)18-10-8-17(9-11-18)14-5-3-2-4-13(14)16/h2-7H,8-11H2,1H3
InChIKeyPSEIFOJURFIXQG-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113076523
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3382446
7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358105
1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine
CID 3587621
1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113075955
4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 90589444
1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 26448864
1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine
CID 23853829
1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 27429093
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 113074757

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine (CID 51182519) is 1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)s1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The InChIKey is PSEIFOJURFIXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S2/c1-12-6-7-15(21-12)22(19,20)18-10-8-17(9-11-18)14-5-3-2-4-13(14)16/h2-7H,8-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine has a molecular weight of 356.90 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 51182519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).