N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide

C21H23NO4S — CID 95367244

IUPACN-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)cc1C
InChIInChI=1S/C21H23NO4S/c1-14-11-17(12-15(2)21(14)26-3)27(24,25)22-13-20(23)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,20,22-23H,13H2,1-3H3/t20-/m0/s1
InChIKeyWNKKRTXLELLBKF-FQEVSTJZSA-N
MW385.49 g/mol
LogP3.48
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide

N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide (PubChem CID 95367244) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
PubChem CID95367244
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC NameN-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)cc1C
InChIInChI=1S/C21H23NO4S/c1-14-11-17(12-15(2)21(14)26-3)27(24,25)22-13-20(23)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,20,22-23H,13H2,1-3H3/t20-/m0/s1
InChIKeyWNKKRTXLELLBKF-FQEVSTJZSA-N
XLogP3.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209
3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide
CID 95367229
4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 90497358
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-nitrobenzenesulfonamide
CID 90497380
4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
CID 95367217
5-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methoxybenzenesulfonamide
CID 95367250
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide
CID 90497393
2-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide
CID 166326540
6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide
CID 166423420
N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 90497359
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-methoxybenzenesulfonamide
CID 90535159

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide (CID 95367244) is N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide is COc1c(C)cc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)cc1C.
What is the InChIKey of N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
The InChIKey is WNKKRTXLELLBKF-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23NO4S/c1-14-11-17(12-15(2)21(14)26-3)27(24,25)22-13-20(23)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,20,22-23H,13H2,1-3H3/t20-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 95367244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).