1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid

C19H27FN2O6S — CID 90483648

IUPAC1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid
SMILESCC1CCCC(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1.O=C(O)C(=O)O
InChIInChI=1S/C17H25FN2O2S.C2H2O4/c1-14-3-2-4-16(13-14)19-9-11-20(12-10-19)23(21,22)17-7-5-15(18)6-8-17;3-1(4)2(5)6/h5-8,14,16H,2-4,9-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyCZKAORNANWOKMA-UHFFFAOYSA-N
MW430.50 g/mol
LogP1.87
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid

1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid (PubChem CID 90483648) has the molecular formula C19H27FN2O6S and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid
PubChem CID90483648
Molecular FormulaC19H27FN2O6S
Molecular Weight430.50 g/mol
Exact Mass430.16
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid
SMILESCC1CCCC(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1.O=C(O)C(=O)O
InChIInChI=1S/C17H25FN2O2S.C2H2O4/c1-14-3-2-4-16(13-14)19-9-11-20(12-10-19)23(21,22)17-7-5-15(18)6-8-17;3-1(4)2(5)6/h5-8,14,16H,2-4,9-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyCZKAORNANWOKMA-UHFFFAOYSA-N
XLogP1.87
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 17366301
1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287394
(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone
CID 110246552
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
CID 1333953
(4-cyclobutyl-1,4-diazepan-1-yl)-[7-(4-fluorophenyl)sulfonyl-7-azaspiro[3.5]nonan-2-yl]methanone
CID 46212881
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine
CID 2900133
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
1-(benzenesulfonyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;oxalic acid
CID 126477281
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid (CID 90483648) is 1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid is CC1CCCC(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1.O=C(O)C(=O)O.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid?
The InChIKey is CZKAORNANWOKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2S.C2H2O4/c1-14-3-2-4-16(13-14)19-9-11-20(12-10-19)23(21,22)17-7-5-15(18)6-8-17;3-1(4)2(5)6/h5-8,14,16H,2-4,9-13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid?
1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid has a molecular weight of 430.50 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-(3-methylcyclohexyl)piperazine;oxalic acid is sourced from PubChem (CID 90483648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).