1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine

C13H17F2NO4S2 — CID 90594332

IUPAC1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H17F2NO4S2/c1-9(2)8-21(17,18)11-6-16(7-11)22(19,20)10-3-4-12(14)13(15)5-10/h3-5,9,11H,6-8H2,1-2H3
InChIKeyRHKFMOVLBRAJTF-UHFFFAOYSA-N
MW353.41 g/mol
LogP1.41
Rot. Bonds5

About 1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine

1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine (PubChem CID 90594332) has the molecular formula C13H17F2NO4S2 and a molecular weight of 353.41 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
PubChem CID90594332
Molecular FormulaC13H17F2NO4S2
Molecular Weight353.41 g/mol
Exact Mass353.06
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H17F2NO4S2/c1-9(2)8-21(17,18)11-6-16(7-11)22(19,20)10-3-4-12(14)13(15)5-10/h3-5,9,11H,6-8H2,1-2H3
InChIKeyRHKFMOVLBRAJTF-UHFFFAOYSA-N
XLogP1.41
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594382
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
(3S)-1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354830
(3aS,6aR)-2-(3,4-difluorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 173069403
3-(2-methylpropylsulfonyl)-1-(4-phenoxyphenyl)sulfonylazetidine
CID 90594404
1-[4-(3-methylphenoxy)phenyl]sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594410
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834597
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26253343
1-(3,4-difluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 51159101
1-(2-bromophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 72719105
1-(3,4-difluorophenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799661
4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 90590371

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine (CID 90594332) is 1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine is CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine?
The InChIKey is RHKFMOVLBRAJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO4S2/c1-9(2)8-21(17,18)11-6-16(7-11)22(19,20)10-3-4-12(14)13(15)5-10/h3-5,9,11H,6-8H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine?
1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine has a molecular weight of 353.41 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine is sourced from PubChem (CID 90594332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).