1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine

C18H26F2N2O3S — CID 146627880

IUPAC1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine
SMILESCC1CCC(N2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)CC1
InChIInChI=1S/C18H26F2N2O3S/c1-14-2-4-15(5-3-14)21-10-12-22(13-11-21)26(23,24)17-8-6-16(7-9-17)25-18(19)20/h6-9,14-15,18H,2-5,10-13H2,1H3
InChIKeyBGEQHTLSLKPQDZ-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.17
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine

1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine (PubChem CID 146627880) has the molecular formula C18H26F2N2O3S and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine
PubChem CID146627880
Molecular FormulaC18H26F2N2O3S
Molecular Weight388.48 g/mol
Exact Mass388.16
IUPAC Name1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine
SMILESCC1CCC(N2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)CC1
InChIInChI=1S/C18H26F2N2O3S/c1-14-2-4-15(5-3-14)21-10-12-22(13-11-21)26(23,24)17-8-6-16(7-9-17)25-18(19)20/h6-9,14-15,18H,2-5,10-13H2,1H3
InChIKeyBGEQHTLSLKPQDZ-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dasa-23
CID 25243725
1-[(4-Methoxyphenyl)sulfonyl]-4-(pyrrolidin-1-yl)piperidine
CID 1121648
1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058
Cyclohexyl-[4-(4-methoxy-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 1078633
1-Indan-2-yl-4-(4-methoxy-benzenesulfonyl)-piperazine
CID 1151847
1-Benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 660773
Tasin-1
CID 1329829
1'-((4-(Difluoromethoxy)phenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308421
1-[1-[4-(Difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine
CID 118314260
4-Methyl-1-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]piperidine
CID 141659834
4-Methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine
CID 146628088

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine (CID 146627880) is 1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine is CC1CCC(N2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine?
The InChIKey is BGEQHTLSLKPQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O3S/c1-14-2-4-15(5-3-14)21-10-12-22(13-11-21)26(23,24)17-8-6-16(7-9-17)25-18(19)20/h6-9,14-15,18H,2-5,10-13H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine?
1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine has a molecular weight of 388.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]sulfonyl-4-(4-methylcyclohexyl)piperazine is sourced from PubChem (CID 146627880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).