1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

C16H19ClN2O2S2 — CID 3382446

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1C
InChIInChI=1S/C16H19ClN2O2S2/c1-12-4-3-5-14(13(12)2)18-8-10-19(11-9-18)23(20,21)16-7-6-15(17)22-16/h3-7H,8-11H2,1-2H3
InChIKeyMLTBTANNDXIXQN-UHFFFAOYSA-N
MW370.93 g/mol
LogP3.53
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (PubChem CID 3382446) has the molecular formula C16H19ClN2O2S2 and a molecular weight of 370.93 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
PubChem CID3382446
Molecular FormulaC16H19ClN2O2S2
Molecular Weight370.93 g/mol
Exact Mass370.06
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1C
InChIInChI=1S/C16H19ClN2O2S2/c1-12-4-3-5-14(13(12)2)18-8-10-19(11-9-18)23(20,21)16-7-6-15(17)22-16/h3-7H,8-11H2,1-2H3
InChIKeyMLTBTANNDXIXQN-UHFFFAOYSA-N
XLogP3.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
N-[[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 60516928
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3520156
1-(2,3-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 3590123
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1344730
1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 60563458
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684812
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (CID 3382446) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is MLTBTANNDXIXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S2/c1-12-4-3-5-14(13(12)2)18-8-10-19(11-9-18)23(20,21)16-7-6-15(17)22-16/h3-7H,8-11H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 370.93 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 3382446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).