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

C16H15F4NO3S — CID 71781995

IUPAC4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H15F4NO3S/c1-11-9-13(17)7-8-14(11)25(23,24)21-10-15(22,16(18,19)20)12-5-3-2-4-6-12/h2-9,21-22H,10H2,1H3
InChIKeyATJCZTNOVYZSKO-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.86
Rot. Bonds5

About 4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide

4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide (PubChem CID 71781995) has the molecular formula C16H15F4NO3S and a molecular weight of 377.36 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
PubChem CID71781995
Molecular FormulaC16H15F4NO3S
Molecular Weight377.36 g/mol
Exact Mass377.07
IUPAC Name4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H15F4NO3S/c1-11-9-13(17)7-8-14(11)25(23,24)21-10-15(22,16(18,19)20)12-5-3-2-4-6-12/h2-9,21-22H,10H2,1H3
InChIKeyATJCZTNOVYZSKO-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.86
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-methoxy-2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95376544
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498025
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174634
N-[(2S)-2-hydroxy-2-phenylpropyl]-2,4-dimethylbenzenesulfonamide
CID 95368044
2,5-dimethoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498068
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 110291429
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 110291476
N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013
4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 99872683
4-bromo-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498080
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 4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide (CID 71781995) is 4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
The InChIKey is ATJCZTNOVYZSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO3S/c1-11-9-13(17)7-8-14(11)25(23,24)21-10-15(22,16(18,19)20)12-5-3-2-4-6-12/h2-9,21-22H,10H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide?
4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide has a molecular weight of 377.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 71781995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).