2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide

C19H17F2NO3S — CID 90524516

IUPAC2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccc2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2NO3S/c20-14-8-9-19(17(21)12-14)26(24,25)22-11-10-18(23)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,12,18,22-23H,10-11H2
InChIKeyIGHFGOZCDOBZRQ-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.52
Rot. Bonds6

About 2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide

2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide (PubChem CID 90524516) has the molecular formula C19H17F2NO3S and a molecular weight of 377.41 g/mol. Its IUPAC name is 2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
PubChem CID90524516
Molecular FormulaC19H17F2NO3S
Molecular Weight377.41 g/mol
Exact Mass377.09
IUPAC Name2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccc2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2NO3S/c20-14-8-9-19(17(21)12-14)26(24,25)22-11-10-18(23)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,12,18,22-23H,10-11H2
InChIKeyIGHFGOZCDOBZRQ-UHFFFAOYSA-N
XLogP3.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524514
3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524496
4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 166326529
4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
CID 95367217
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,4-dimethoxybenzenesulfonamide
CID 90524557
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide
CID 90524520
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
CID 90524502
2-(2,5-difluorophenyl)-1-naphthalen-1-ylethanol
CID 62716051
(2,4-difluorophenyl)-naphthalen-1-ylmethanol
CID 61087726
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 90497358
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 113318786
2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753831

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide (CID 90524516) is 2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide is O=S(=O)(NCCC(O)c1cccc2ccccc12)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide?
The InChIKey is IGHFGOZCDOBZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3S/c20-14-8-9-19(17(21)12-14)26(24,25)22-11-10-18(23)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,12,18,22-23H,10-11H2.
What are the key properties of 2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide?
2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide has a molecular weight of 377.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 90524516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).