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

C19H18FNO3S — CID 95367217

IUPAC4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C19H18FNO3S/c1-13-11-15(20)9-10-19(13)25(23,24)21-12-18(22)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,18,21-22H,12H2,1H3/t18-/m1/s1
InChIKeyUEHMRHNPGBQCOG-GOSISDBHSA-N
MW359.42 g/mol
LogP3.30
Rot. Bonds5

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

4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide (PubChem CID 95367217) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
PubChem CID95367217
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C19H18FNO3S/c1-13-11-15(20)9-10-19(13)25(23,24)21-12-18(22)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,18,21-22H,12H2,1H3/t18-/m1/s1
InChIKeyUEHMRHNPGBQCOG-GOSISDBHSA-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-naphthalen-1-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 90497358
4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 166326529
2-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide
CID 166326540
2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524516
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209
2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524514
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 95367244
3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide
CID 95367229
5-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methoxybenzenesulfonamide
CID 95367250
N-(2-bromopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114295737
4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102913112
4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide (CID 95367217) is 4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](O)c1cccc2ccccc12.
What is the InChIKey of 4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide?
The InChIKey is UEHMRHNPGBQCOG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18FNO3S/c1-13-11-15(20)9-10-19(13)25(23,24)21-12-18(22)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,18,21-22H,12H2,1H3/t18-/m1/s1.
What are the key properties of 4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-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-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 95367217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).