3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol

C16H20N2O4S — CID 75521933

IUPAC3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol
SMILESCc1cc(S(=O)(=O)N2CCN(c3cccc(O)c3)CC2)c(C)o1
InChIInChI=1S/C16H20N2O4S/c1-12-10-16(13(2)22-12)23(20,21)18-8-6-17(7-9-18)14-4-3-5-15(19)11-14/h3-5,10-11,19H,6-9H2,1-2H3
InChIKeyIDIDCTMJTNWTIX-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.11
Rot. Bonds3

About 3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol

3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol (PubChem CID 75521933) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol.

Molecular Properties

Compound Name3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol
PubChem CID75521933
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol
SMILESCc1cc(S(=O)(=O)N2CCN(c3cccc(O)c3)CC2)c(C)o1
InChIInChI=1S/C16H20N2O4S/c1-12-10-16(13(2)22-12)23(20,21)18-8-6-17(7-9-18)14-4-3-5-15(19)11-14/h3-5,10-11,19H,6-9H2,1-2H3
InChIKeyIDIDCTMJTNWTIX-UHFFFAOYSA-N
XLogP2.11
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylsulfonylpiperazin-1-yl)phenol
CID 640050
2,4-dichloro-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenol
CID 3598660
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
3-(4-benzylsulfonylpiperazin-1-yl)phenol
CID 75402119
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
methyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 53069031
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 146075410
1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 50876773

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol?
The IUPAC name of 3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol (CID 75521933) is 3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol.
What is the SMILES notation for 3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol?
The canonical SMILES for 3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol is Cc1cc(S(=O)(=O)N2CCN(c3cccc(O)c3)CC2)c(C)o1.
What is the InChIKey of 3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol?
The InChIKey is IDIDCTMJTNWTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12-10-16(13(2)22-12)23(20,21)18-8-6-17(7-9-18)14-4-3-5-15(19)11-14/h3-5,10-11,19H,6-9H2,1-2H3.
What are the key properties of 3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol?
3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol has a molecular weight of 336.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol is sourced from PubChem (CID 75521933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).