4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine

C16H19ClN2O3S2 — CID 110293346

IUPAC4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine
SMILESCOc1cccc(C2CN(S(=O)(=O)c3ccc(Cl)s3)CCN2C)c1
InChIInChI=1S/C16H19ClN2O3S2/c1-18-8-9-19(24(20,21)16-7-6-15(17)23-16)11-14(18)12-4-3-5-13(10-12)22-2/h3-7,10,14H,8-9,11H2,1-2H3
InChIKeyRKKFGNWCEOALLD-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.09
Rot. Bonds4

About 4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine

4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine (PubChem CID 110293346) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine
PubChem CID110293346
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC Name4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine
SMILESCOc1cccc(C2CN(S(=O)(=O)c3ccc(Cl)s3)CCN2C)c1
InChIInChI=1S/C16H19ClN2O3S2/c1-18-8-9-19(24(20,21)16-7-6-15(17)23-16)11-14(18)12-4-3-5-13(10-12)22-2/h3-7,10,14H,8-9,11H2,1-2H3
InChIKeyRKKFGNWCEOALLD-UHFFFAOYSA-N
XLogP3.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide
CID 110632012
4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine
CID 110293341
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684867
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
CID 110293430
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-methoxyphenyl)sulfanylethanone
CID 35041590
(9aR)-2-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95143677
1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine
CID 24511085
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3382446
(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293276
(2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 95110006
2-(3-methoxyphenyl)-1,3-dimethylimidazolidine
CID 14361742

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine (CID 110293346) is 4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine is COc1cccc(C2CN(S(=O)(=O)c3ccc(Cl)s3)CCN2C)c1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine?
The InChIKey is RKKFGNWCEOALLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c1-18-8-9-19(24(20,21)16-7-6-15(17)23-16)11-14(18)12-4-3-5-13(10-12)22-2/h3-7,10,14H,8-9,11H2,1-2H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine?
4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine has a molecular weight of 386.93 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine is sourced from PubChem (CID 110293346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).