2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide

C12H12F5NO3S — CID 166295530

IUPAC2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)C1(NS(=O)(=O)c2c(F)cc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C12H12F5NO3S/c1-6(19)11(2-3-11)18-22(20,21)10-8(13)4-7(5-9(10)14)12(15,16)17/h4-6,18-19H,2-3H2,1H3
InChIKeyYOLCITGNPUVWGS-UHFFFAOYSA-N
MW345.29 g/mol
LogP2.18
Rot. Bonds4

About 2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide

2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 166295530) has the molecular formula C12H12F5NO3S and a molecular weight of 345.29 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID166295530
Molecular FormulaC12H12F5NO3S
Molecular Weight345.29 g/mol
Exact Mass345.05
IUPAC Name2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)C1(NS(=O)(=O)c2c(F)cc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C12H12F5NO3S/c1-6(19)11(2-3-11)18-22(20,21)10-8(13)4-7(5-9(10)14)12(15,16)17/h4-6,18-19H,2-3H2,1H3
InChIKeyYOLCITGNPUVWGS-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2,6-difluoro-4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 167791905
2,6-difluoro-N-propan-2-yl-N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 166329949
1-[2,6-difluoro-4-(trifluoromethyl)phenyl]ethyl methanesulfonate
CID 122575203
2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 83030525
2-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 122068118
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonamide;methanol
CID 171100231
3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106217621
2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719849
2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 142108163
1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 18175677
4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 75444567
2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide
CID 47358735

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide (CID 166295530) is 2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide is CC(O)C1(NS(=O)(=O)c2c(F)cc(C(F)(F)F)cc2F)CC1.
What is the InChIKey of 2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YOLCITGNPUVWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5NO3S/c1-6(19)11(2-3-11)18-22(20,21)10-8(13)4-7(5-9(10)14)12(15,16)17/h4-6,18-19H,2-3H2,1H3.
What are the key properties of 2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide?
2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 345.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-(1-hydroxyethyl)cyclopropyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 166295530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).