4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide

C16H22FNO4S2 — CID 144881858

IUPAC4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C16H22FNO4S2/c17-13-1-5-15(6-2-13)24(21,22)16-7-3-14(4-8-16)18-9-11-23(19,20)12-10-18/h1-2,5-6,14,16H,3-4,7-12H2
InChIKeyPHRSSNKBTODCFK-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.64
Rot. Bonds3

About 4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide

4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 144881858) has the molecular formula C16H22FNO4S2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide
PubChem CID144881858
Molecular FormulaC16H22FNO4S2
Molecular Weight375.49 g/mol
Exact Mass375.10
IUPAC Name4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C16H22FNO4S2/c17-13-1-5-15(6-2-13)24(21,22)16-7-3-14(4-8-16)18-9-11-23(19,20)12-10-18/h1-2,5-6,14,16H,3-4,7-12H2
InChIKeyPHRSSNKBTODCFK-UHFFFAOYSA-N
XLogP1.64
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(4-fluorophenyl)sulfonylcyclopentan-1-amine
CID 64724253
4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine
CID 174897155
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
4-cyclopropylsulfonylbenzenesulfonyl fluoride
CID 166000908
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide
CID 7304650
(3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 134374430
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide (CID 144881858) is 4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(C2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is PHRSSNKBTODCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4S2/c17-13-1-5-15(6-2-13)24(21,22)16-7-3-14(4-8-16)18-9-11-23(19,20)12-10-18/h1-2,5-6,14,16H,3-4,7-12H2.
What are the key properties of 4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide?
4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 375.49 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 144881858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).