1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone

C17H19ClN2O3S2 — CID 8622836

IUPAC1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C17H19ClN2O3S2/c1-13-4-2-3-5-14(13)12-16(21)19-8-10-20(11-9-19)25(22,23)17-7-6-15(18)24-17/h2-7H,8-12H2,1H3
InChIKeyNGCCOWCUVLKGMH-UHFFFAOYSA-N
MW398.94 g/mol
LogP2.79
Rot. Bonds4

About 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone

1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 8622836) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID8622836
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C17H19ClN2O3S2/c1-13-4-2-3-5-14(13)12-16(21)19-8-10-20(11-9-19)25(22,23)17-7-6-15(18)24-17/h2-7H,8-12H2,1H3
InChIKeyNGCCOWCUVLKGMH-UHFFFAOYSA-N
XLogP2.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 16298387
2-Methylphenyl 4-(2-thienylsulfonyl)piperazinyl ketone
CID 4827279
1-[4-[4-Chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 4850276
2-(2,6-Dichlorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 16289378
1-[4-(4-Propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 24979939
4-[4-(5-Chlorothiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 164623372
{4-[(5-Chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}[3-(trifluoromethyl)phenyl]methanone
CID 2971410
1-[2-(2-chlorophenyl)acetyl]-N-(5-chlorothiophen-2-yl)sulfonyl-2-methylazetidine-2-carboxamide
CID 49789954
N-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(3-phenylpropanoyl)azetidine-2-carboxamide
CID 49790353
3-Phenyl-1-[4-(2-thienylsulfonyl)piperazinyl]propan-1-one
CID 2971199
4-[4-(5-Chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 4823948
(3-Chlorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 4851373

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone (CID 8622836) is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is NGCCOWCUVLKGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-13-4-2-3-5-14(13)12-16(21)19-8-10-20(11-9-19)25(22,23)17-7-6-15(18)24-17/h2-7H,8-12H2,1H3.
What are the key properties of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone?
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 398.94 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 8622836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).