1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone

C16H16Cl2N2O3S3 — CID 30885271

IUPAC1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone
SMILESO=C(CSc1cccs1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H16Cl2N2O3S3/c17-12-3-1-4-13(18)16(12)26(22,23)20-8-6-19(7-9-20)14(21)11-25-15-5-2-10-24-15/h1-5,10H,6-9,11H2
InChIKeyMKNWKYWGVRTGAM-UHFFFAOYSA-N
MW451.42 g/mol
LogP3.68
Rot. Bonds5

About 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone

1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone (PubChem CID 30885271) has the molecular formula C16H16Cl2N2O3S3 and a molecular weight of 451.42 g/mol. Its IUPAC name is 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone
PubChem CID30885271
Molecular FormulaC16H16Cl2N2O3S3
Molecular Weight451.42 g/mol
Exact Mass449.97
IUPAC Name1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone
SMILESO=C(CSc1cccs1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H16Cl2N2O3S3/c17-12-3-1-4-13(18)16(12)26(22,23)20-8-6-19(7-9-20)14(21)11-25-15-5-2-10-24-15/h1-5,10H,6-9,11H2
InChIKeyMKNWKYWGVRTGAM-UHFFFAOYSA-N
XLogP3.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 30892099
2-amino-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119270072
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(2,4-difluorophenyl)sulfanylethanone
CID 26312773
1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone
CID 43427796
2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid
CID 78980678
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 63308244
3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 46636580
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 17440483
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 26872241
methyl N-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylcarbamate
CID 46435299
(4-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181355
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone
CID 46482252

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone?
The IUPAC name of 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone (CID 30885271) is 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone.
What is the SMILES notation for 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone?
The canonical SMILES for 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone is O=C(CSc1cccs1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone?
The InChIKey is MKNWKYWGVRTGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S3/c17-12-3-1-4-13(18)16(12)26(22,23)20-8-6-19(7-9-20)14(21)11-25-15-5-2-10-24-15/h1-5,10H,6-9,11H2.
What are the key properties of 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone?
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone has a molecular weight of 451.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone is sourced from PubChem (CID 30885271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).