2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide

C10H11F4NO3S2 — CID 99839908

IUPAC2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide
SMILESC[C@H](C[S@@](C)=O)NS(=O)(=O)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H11F4NO3S2/c1-5(4-19(2)16)15-20(17,18)10-8(13)6(11)3-7(12)9(10)14/h3,5,15H,4H2,1-2H3/t5-,19-/m1/s1
InChIKeyUFTREVXHBUTACO-WZNIZKBGSA-N
MW333.33 g/mol
LogP1.29
Rot. Bonds5

About 2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide

2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide (PubChem CID 99839908) has the molecular formula C10H11F4NO3S2 and a molecular weight of 333.33 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide
PubChem CID99839908
Molecular FormulaC10H11F4NO3S2
Molecular Weight333.33 g/mol
Exact Mass333.01
IUPAC Name2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide
SMILESC[C@H](C[S@@](C)=O)NS(=O)(=O)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H11F4NO3S2/c1-5(4-19(2)16)15-20(17,18)10-8(13)6(11)3-7(12)9(10)14/h3,5,15H,4H2,1-2H3/t5-,19-/m1/s1
InChIKeyUFTREVXHBUTACO-WZNIZKBGSA-N
XLogP1.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]pentanoic acid
CID 122069952
3-amino-5-bromo-2-methyl-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide
CID 114380223
3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide
CID 106546751
3-amino-4-fluoro-2,6-dimethyl-N-(4-methylsulfinylbutan-2-yl)benzenesulfonamide
CID 107326172
5-chloro-N-(1-methylsulfinylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113486689
5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide
CID 113486780
2-methyl-4-(1-methylsulfinylpropan-2-ylsulfamoyl)benzenecarbothioamide
CID 106920361
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107326702
2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 3854345
3-cyano-4-fluoro-N-(4-methylsulfinylbutan-2-yl)benzenesulfonamide
CID 115669263
1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide
CID 113486328

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide (CID 99839908) is 2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide is C[C@H](C[S@@](C)=O)NS(=O)(=O)c1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide?
The InChIKey is UFTREVXHBUTACO-WZNIZKBGSA-N. The full InChI is InChI=1S/C10H11F4NO3S2/c1-5(4-19(2)16)15-20(17,18)10-8(13)6(11)3-7(12)9(10)14/h3,5,15H,4H2,1-2H3/t5-,19-/m1/s1.
What are the key properties of 2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide?
2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide has a molecular weight of 333.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 99839908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).