N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide

C21H23NO3S — CID 90524502

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C21H23NO3S/c23-21(20-12-6-10-18-9-4-5-11-19(18)20)13-15-22-26(24,25)16-14-17-7-2-1-3-8-17/h1-12,21-23H,13-16H2
InChIKeyPFRTXFURWXTZBQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.43
Rot. Bonds8

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide (PubChem CID 90524502) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
PubChem CID90524502
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C21H23NO3S/c23-21(20-12-6-10-18-9-4-5-11-19(18)20)13-15-22-26(24,25)16-14-17-7-2-1-3-8-17/h1-12,21-23H,13-16H2
InChIKeyPFRTXFURWXTZBQ-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
CID 90524671
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide
CID 90524520
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide
CID 90523818
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide
CID 95367211
N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2-phenylethanesulfonamide
CID 86266756
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97038625
3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524496
2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524514
3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide
CID 90524456
N-(3-bromopentyl)-2-phenylethanesulfonamide
CID 113498008
2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524516
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide (CID 90524502) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCCC(O)c1cccc2ccccc12.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide?
The InChIKey is PFRTXFURWXTZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c23-21(20-12-6-10-18-9-4-5-11-19(18)20)13-15-22-26(24,25)16-14-17-7-2-1-3-8-17/h1-12,21-23H,13-16H2.
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 90524502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).