4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide

C18H16FNO3S — CID 90497352

IUPAC4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3S/c19-14-8-10-15(11-9-14)24(22,23)20-12-18(21)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,18,20-21H,12H2
InChIKeyFKODCJHTKLVGRO-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.99
Rot. Bonds5

About 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide

4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (PubChem CID 90497352) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
PubChem CID90497352
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC Name4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3S/c19-14-8-10-15(11-9-14)24(22,23)20-12-18(21)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,18,20-21H,12H2
InChIKeyFKODCJHTKLVGRO-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56765486
2-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 56764138
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56764232
(R)-2-(4-biphenylyl)-1-(m-fluorophenylsulfonylamino)-2-propanol
CID 96351487
(S)-3-(4-fluoro-2-tolylsulfonylamino)-1-phenyl-1-propanol
CID 97038599
N-{[3'-(Hydroxymethyl)biphenyl-4-Yl]methyl}benzenesulfonamide
CID 119025594
(1R,2R)-2-amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol
CID 129394420
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 129884108
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl)benzenesulfonamide
CID 129884155
N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 2812773
N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)-2-phenylethanesulfonamide
CID 56764139
1-(2-chlorophenyl)-N-[2-hydroxy-2-(naphthalen-1-yl)ethyl]methanesulfonamide
CID 56764148

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (CID 90497352) is 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is O=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The InChIKey is FKODCJHTKLVGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c19-14-8-10-15(11-9-14)24(22,23)20-12-18(21)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,18,20-21H,12H2.
What are the key properties of 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90497352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).