4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide

C19H18FNO3S — CID 56764141

IUPAC4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(O)c2cccc3ccccc23)ccc1F
InChIInChI=1S/C19H18FNO3S/c1-13-11-15(9-10-18(13)20)25(23,24)21-12-19(22)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,19,21-22H,12H2,1H3
InChIKeyIUIXNAGBNHWHQA-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.30
Rot. Bonds5

About 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide

4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide (PubChem CID 56764141) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide
PubChem CID56764141
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(O)c2cccc3ccccc23)ccc1F
InChIInChI=1S/C19H18FNO3S/c1-13-11-15(9-10-18(13)20)25(23,24)21-12-19(22)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,19,21-22H,12H2,1H3
InChIKeyIUIXNAGBNHWHQA-UHFFFAOYSA-N
XLogP3.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.30
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
4-fluoro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-3-methylbenzenesulfonamide
CID 56765479
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl)benzenesulfonamide
CID 129884155
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide
CID 3363192
N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)-2-phenylethanesulfonamide
CID 56764139
N-(3-hydroxy-3-(naphthalen-1-yl)propyl)-1-phenylmethanesulfonamide
CID 71787945
N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)naphthalene-1-sulfonamide
CID 71803865
(R)-2-(3-chloro-2-tolylsulfonylamino)-1-(1-naphthyl)-1-ethanol
CID 95367230
(R)-1-(1-naphthyl)-2-(5,6,7,8-tetrahydro-2-naphthylsulfonylamino)-1-ethanol
CID 95367237

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide (CID 56764141) is 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(O)c2cccc3ccccc23)ccc1F.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide?
The InChIKey is IUIXNAGBNHWHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c1-13-11-15(9-10-18(13)20)25(23,24)21-12-19(22)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,19,21-22H,12H2,1H3.
What are the key properties of 4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide?
4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylbenzenesulfonamide has a molecular weight of 359.42 g/mol, XLogP of 3.30, 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)-3-methylbenzenesulfonamide is sourced from PubChem (CID 56764141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).