N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide

C19H23NO4S — CID 97355232

IUPACN-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NC[C@@]1(O)CCc2ccccc2C1
InChIInChI=1S/C19H23NO4S/c21-19(11-10-16-6-4-5-7-17(16)14-19)15-20-25(22,23)13-12-24-18-8-2-1-3-9-18/h1-9,20-21H,10-15H2/t19-/m1/s1
InChIKeyUOBOKRPRRBGQSP-LJQANCHMSA-N
MW361.46 g/mol
LogP1.90
Rot. Bonds7

About N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide

N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide (PubChem CID 97355232) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide
PubChem CID97355232
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NC[C@@]1(O)CCc2ccccc2C1
InChIInChI=1S/C19H23NO4S/c21-19(11-10-16-6-4-5-7-17(16)14-19)15-20-25(22,23)13-12-24-18-8-2-1-3-9-18/h1-9,20-21H,10-15H2/t19-/m1/s1
InChIKeyUOBOKRPRRBGQSP-LJQANCHMSA-N
XLogP1.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71803616
1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(2-phenoxyethyl)urea
CID 97042727
1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide
CID 71803605
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide
CID 91939423
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide
CID 91631208
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 90581195
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]pyridine-3-sulfonamide
CID 90581181
2-(3-aminophenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]ethanesulfonamide
CID 106099193
N-benzyl-2-phenoxyethanesulfonamide
CID 11140850
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 97042676
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 90581247
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide
CID 71803556

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide?
The IUPAC name of N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide (CID 97355232) is N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide?
The canonical SMILES for N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide is O=S(=O)(CCOc1ccccc1)NC[C@@]1(O)CCc2ccccc2C1.
What is the InChIKey of N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide?
The InChIKey is UOBOKRPRRBGQSP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23NO4S/c21-19(11-10-16-6-4-5-7-17(16)14-19)15-20-25(22,23)13-12-24-18-8-2-1-3-9-18/h1-9,20-21H,10-15H2/t19-/m1/s1.
What are the key properties of N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide?
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-2-phenoxyethanesulfonamide is sourced from PubChem (CID 97355232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).