2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide

C9H10F3NO3S — CID 43502170

IUPAC2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3NO3S/c1-5(4-14)13-17(15,16)7-3-2-6(10)8(11)9(7)12/h2-3,5,13-14H,4H2,1H3
InChIKeyJSOOVFBFFHZAHE-UHFFFAOYSA-N
MW269.24 g/mol
LogP0.76
Rot. Bonds4

About 2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide

2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 43502170) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID43502170
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3NO3S/c1-5(4-14)13-17(15,16)7-3-2-6(10)8(11)9(7)12/h2-3,5,13-14H,4H2,1H3
InChIKeyJSOOVFBFFHZAHE-UHFFFAOYSA-N
XLogP0.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
2,3,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833824
(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide
CID 8802570
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 78686890
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502000
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
4-fluoro-N-(1-hydroxypropan-2-yl)-2-nitrobenzenesulfonamide
CID 43502280
4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 39086808
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 79896720

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (CID 43502170) is 2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide is CC(CO)NS(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is JSOOVFBFFHZAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c1-5(4-14)13-17(15,16)7-3-2-6(10)8(11)9(7)12/h2-3,5,13-14H,4H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 269.24 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43502170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).