2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide

C19H17F2NO3S — CID 90524514

IUPAC2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccc2ccccc12)c1cc(F)ccc1F
InChIInChI=1S/C19H17F2NO3S/c20-14-8-9-17(21)19(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
InChIKeyDREKERARBDFPNS-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.52
Rot. Bonds6

About 2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide

2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide (PubChem CID 90524514) has the molecular formula C19H17F2NO3S and a molecular weight of 377.41 g/mol. Its IUPAC name is 2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
PubChem CID90524514
Molecular FormulaC19H17F2NO3S
Molecular Weight377.41 g/mol
Exact Mass377.09
IUPAC Name2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccc2ccccc12)c1cc(F)ccc1F
InChIInChI=1S/C19H17F2NO3S/c20-14-8-9-17(21)19(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
InChIKeyDREKERARBDFPNS-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

Analyze 2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524516
3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524496
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
4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 166326529
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
2-(2,5-difluorophenyl)-1-naphthalen-1-ylethanol
CID 62716051
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide
CID 90524520
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
CID 90524502
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 90497358
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide (CID 90524514) is 2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide is O=S(=O)(NCCC(O)c1cccc2ccccc12)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide?
The InChIKey is DREKERARBDFPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3S/c20-14-8-9-17(21)19(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 2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide?
2,5-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 2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 90524514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).