1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine

C15H21FN2O3S — CID 71907976

IUPAC1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCN(C2CCOC2)CC1
InChIInChI=1S/C15H21FN2O3S/c1-12-2-3-13(16)10-15(12)22(19,20)18-7-5-17(6-8-18)14-4-9-21-11-14/h2-3,10,14H,4-9,11H2,1H3
InChIKeyLZPIWCXZHQJWQC-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.23
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine

1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine (PubChem CID 71907976) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine
PubChem CID71907976
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCN(C2CCOC2)CC1
InChIInChI=1S/C15H21FN2O3S/c1-12-2-3-13(16)10-15(12)22(19,20)18-7-5-17(6-8-18)14-4-9-21-11-14/h2-3,10,14H,4-9,11H2,1H3
InChIKeyLZPIWCXZHQJWQC-UHFFFAOYSA-N
XLogP1.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390373
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
1-(4-fluoro-3-methylphenyl)sulfonyl-4-(oxolan-3-yl)-1,4-diazepane
CID 134160894
4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 80672227
1-(3-fluoro-4-methylphenyl)sulfonyl-4-(oxan-4-yl)piperazine
CID 126792044
1-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4-(oxolan-3-yl)piperazine
CID 170143862
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine
CID 3456966
1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978245
4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 46452449
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine (CID 71907976) is 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine is Cc1ccc(F)cc1S(=O)(=O)N1CCN(C2CCOC2)CC1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine?
The InChIKey is LZPIWCXZHQJWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-12-2-3-13(16)10-15(12)22(19,20)18-7-5-17(6-8-18)14-4-9-21-11-14/h2-3,10,14H,4-9,11H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine?
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine has a molecular weight of 328.41 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine is sourced from PubChem (CID 71907976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).