4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one

C10H13ClN2O3S2 — CID 63601203

IUPAC4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2O3S2/c1-2-7-10(14)12-5-6-13(7)18(15,16)9-4-3-8(11)17-9/h3-4,7H,2,5-6H2,1H3,(H,12,14)
InChIKeyIFHPIJZVMIJADK-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.30
Rot. Bonds3

About 4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one

4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one (PubChem CID 63601203) has the molecular formula C10H13ClN2O3S2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one
PubChem CID63601203
Molecular FormulaC10H13ClN2O3S2
Molecular Weight308.81 g/mol
Exact Mass308.01
IUPAC Name4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2O3S2/c1-2-7-10(14)12-5-6-13(7)18(15,16)9-4-3-8(11)17-9/h3-4,7H,2,5-6H2,1H3,(H,12,14)
InChIKeyIFHPIJZVMIJADK-UHFFFAOYSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one
CID 110644793
4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 106546001
4-(2-amino-6-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600961
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
9-(5-chlorothiophen-2-yl)sulfonyl-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one
CID 146074098
4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600178
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole
CID 131915901
3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 63604777
4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one
CID 64987347
5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63607534
4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one
CID 110644637
4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one
CID 63604435

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one?
The IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one (CID 63601203) is 4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one?
The InChIKey is IFHPIJZVMIJADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S2/c1-2-7-10(14)12-5-6-13(7)18(15,16)9-4-3-8(11)17-9/h3-4,7H,2,5-6H2,1H3,(H,12,14).
What are the key properties of 4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one?
4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one has a molecular weight of 308.81 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one is sourced from PubChem (CID 63601203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).