N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide

C19H23NO4S — CID 97042676

IUPACN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@]2(O)CCc3ccccc3C2)c(C)c1
InChIInChI=1S/C19H23NO4S/c1-14-11-17(24-2)7-8-18(14)25(22,23)20-13-19(21)10-9-15-5-3-4-6-16(15)12-19/h3-8,11,20-21H,9-10,12-13H2,1-2H3/t19-/m0/s1
InChIKeyLACNPOMHKCPMGP-IBGZPJMESA-N
MW361.46 g/mol
LogP2.20
Rot. Bonds5

About N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide

N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 97042676) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID97042676
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@]2(O)CCc3ccccc3C2)c(C)c1
InChIInChI=1S/C19H23NO4S/c1-14-11-17(24-2)7-8-18(14)25(22,23)20-13-19(21)10-9-15-5-3-4-6-16(15)12-19/h3-8,11,20-21H,9-10,12-13H2,1-2H3/t19-/m0/s1
InChIKeyLACNPOMHKCPMGP-IBGZPJMESA-N
XLogP2.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 90581195
N-[4-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylsulfamoyl]-3-methylphenyl]acetamide
CID 90581245
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110416813
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 91631210
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71803616
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 90581236
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3,5-dimethoxybenzamide
CID 71803567
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 90581247
4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943293
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 71782189
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 120896693

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide (CID 97042676) is N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@]2(O)CCc3ccccc3C2)c(C)c1.
What is the InChIKey of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is LACNPOMHKCPMGP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14-11-17(24-2)7-8-18(14)25(22,23)20-13-19(21)10-9-15-5-3-4-6-16(15)12-19/h3-8,11,20-21H,9-10,12-13H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 97042676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).