3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide

C19H18FNO3S — CID 90524496

IUPAC3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C19H18FNO3S/c20-15-7-4-8-16(13-15)25(23,24)21-12-11-19(22)18-10-3-6-14-5-1-2-9-17(14)18/h1-10,13,19,21-22H,11-12H2
InChIKeyXHUYXXVKIMVUBI-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.38
Rot. Bonds6

About 3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide

3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide (PubChem CID 90524496) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is 3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
PubChem CID90524496
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C19H18FNO3S/c20-15-7-4-8-16(13-15)25(23,24)21-12-11-19(22)18-10-3-6-14-5-1-2-9-17(14)18/h1-10,13,19,21-22H,11-12H2
InChIKeyXHUYXXVKIMVUBI-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.38
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
2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524516
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide
CID 90524520
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,4-dimethoxybenzenesulfonamide
CID 90524557
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
CID 90524502
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-nitrobenzenesulfonamide
CID 90497380
4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
CID 95367217
3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide
CID 95367229
3-[(3-fluorophenyl)sulfonylamino]propanethioamide
CID 62666138

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide (CID 90524496) is 3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide is O=S(=O)(NCCC(O)c1cccc2ccccc12)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide?
The InChIKey is XHUYXXVKIMVUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c20-15-7-4-8-16(13-15)25(23,24)21-12-11-19(22)18-10-3-6-14-5-1-2-9-17(14)18/h1-10,13,19,21-22H,11-12H2.
What are the key properties of 3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide?
3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide has a molecular weight of 359.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 90524496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).