1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine

C16H19FN2O2S2 — CID 1263104

IUPAC1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)s1
InChIInChI=1S/C16H19FN2O2S2/c1-12-11-16(13(2)22-12)23(20,21)19-9-7-18(8-10-19)15-5-3-14(17)4-6-15/h3-6,11H,7-10H2,1-2H3
InChIKeyJIBRCHAJBYRFFM-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.01
Rot. Bonds3

About 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine

1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine (PubChem CID 1263104) has the molecular formula C16H19FN2O2S2 and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine
PubChem CID1263104
Molecular FormulaC16H19FN2O2S2
Molecular Weight354.47 g/mol
Exact Mass354.09
IUPAC Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)s1
InChIInChI=1S/C16H19FN2O2S2/c1-12-11-16(13(2)22-12)23(20,21)19-9-7-18(8-10-19)15-5-3-14(17)4-6-15/h3-6,11H,7-10H2,1-2H3
InChIKeyJIBRCHAJBYRFFM-UHFFFAOYSA-N
XLogP3.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine (CID 1263104) is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine is Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
The InChIKey is JIBRCHAJBYRFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S2/c1-12-11-16(13(2)22-12)23(20,21)19-9-7-18(8-10-19)15-5-3-14(17)4-6-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine has a molecular weight of 354.47 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 1263104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).