[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone

C17H18Cl2N2O3S2 — CID 55996666

IUPAC[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H18Cl2N2O3S2/c1-2-12-5-10-25-16(12)17(22)20-6-8-21(9-7-20)26(23,24)13-3-4-14(18)15(19)11-13/h3-5,10-11H,2,6-9H2,1H3
InChIKeyZNURUJJKQBTYAP-UHFFFAOYSA-N
MW433.38 g/mol
LogP3.76
Rot. Bonds4

About [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone

[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone (PubChem CID 55996666) has the molecular formula C17H18Cl2N2O3S2 and a molecular weight of 433.38 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
PubChem CID55996666
Molecular FormulaC17H18Cl2N2O3S2
Molecular Weight433.38 g/mol
Exact Mass432.01
IUPAC Name[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H18Cl2N2O3S2/c1-2-12-5-10-25-16(12)17(22)20-6-8-21(9-7-20)26(23,24)13-3-4-14(18)15(19)11-13/h3-5,10-11H,2,6-9H2,1H3
InChIKeyZNURUJJKQBTYAP-UHFFFAOYSA-N
XLogP3.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 55997998
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 23853559
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 8925068
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26869413
3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678846
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 9496652
6-[4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 17482980
2-ethyl-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 53065024
N-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
CID 55543692
(E)-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 26869435
(3,4-dichlorophenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26869029
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone
CID 55376414

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone (CID 55996666) is [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone is CCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone?
The InChIKey is ZNURUJJKQBTYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S2/c1-2-12-5-10-25-16(12)17(22)20-6-8-21(9-7-20)26(23,24)13-3-4-14(18)15(19)11-13/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone?
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone has a molecular weight of 433.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 55996666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).