3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide

C19H18FNO4S — CID 95367229

IUPAC3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)cc1F
InChIInChI=1S/C19H18FNO4S/c1-25-19-10-9-14(11-17(19)20)26(23,24)21-12-18(22)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,21-22H,12H2,1H3/t18-/m1/s1
InChIKeyOZZKIOVJTHJWGW-GOSISDBHSA-N
MW375.42 g/mol
LogP3.00
Rot. Bonds6

About 3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide

3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide (PubChem CID 95367229) has the molecular formula C19H18FNO4S and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide
PubChem CID95367229
Molecular FormulaC19H18FNO4S
Molecular Weight375.42 g/mol
Exact Mass375.09
IUPAC Name3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)cc1F
InChIInChI=1S/C19H18FNO4S/c1-25-19-10-9-14(11-17(19)20)26(23,24)21-12-18(22)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,21-22H,12H2,1H3/t18-/m1/s1
InChIKeyOZZKIOVJTHJWGW-GOSISDBHSA-N
XLogP3.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methoxybenzenesulfonamide
CID 95367250
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 95367244
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209
3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide
CID 90500313
4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144
3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 71810535
3-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzenesulfonamide
CID 90534836
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 100726022
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-nitrobenzenesulfonamide
CID 90497380
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide
CID 90497393
4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 166326529
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-difluorobenzenesulfonamide
CID 90613483

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide (CID 95367229) is 3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)cc1F.
What is the InChIKey of 3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide?
The InChIKey is OZZKIOVJTHJWGW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18FNO4S/c1-25-19-10-9-14(11-17(19)20)26(23,24)21-12-18(22)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,21-22H,12H2,1H3/t18-/m1/s1.
What are the key properties of 3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide?
3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide has a molecular weight of 375.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 95367229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).