2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide

C15H13F4NO3S — CID 90498025

IUPAC2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C15H13F4NO3S/c16-12-8-4-5-9-13(12)24(22,23)20-10-14(21,15(17,18)19)11-6-2-1-3-7-11/h1-9,20-21H,10H2
InChIKeyCJZBTFUASBYDNS-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.55
Rot. Bonds5

About 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide

2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide (PubChem CID 90498025) has the molecular formula C15H13F4NO3S and a molecular weight of 363.33 g/mol. Its IUPAC name is 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
PubChem CID90498025
Molecular FormulaC15H13F4NO3S
Molecular Weight363.33 g/mol
Exact Mass363.06
IUPAC Name2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C15H13F4NO3S/c16-12-8-4-5-9-13(12)24(22,23)20-10-14(21,15(17,18)19)11-6-2-1-3-7-11/h1-9,20-21H,10H2
InChIKeyCJZBTFUASBYDNS-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498039
4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 71781995
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
CID 71788798
4-bromo-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498080
N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide
CID 95376528
4-methoxy-2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95376544
2,5-dimethoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498068
1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide
CID 97355094
N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103461134
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497940
1-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]pyrazole-4-sulfonamide
CID 99819088
3,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,2-oxazole-4-sulfonamide
CID 95376531

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide (CID 90498025) is 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide is O=S(=O)(NCC(O)(c1ccccc1)C(F)(F)F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
The InChIKey is CJZBTFUASBYDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO3S/c16-12-8-4-5-9-13(12)24(22,23)20-10-14(21,15(17,18)19)11-6-2-1-3-7-11/h1-9,20-21H,10H2.
What are the key properties of 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide has a molecular weight of 363.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 90498025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).