2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide

C18H20ClNO4S — CID 100731565

IUPAC2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide
SMILESCOc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C18H20ClNO4S/c1-24-14-8-9-15-13(11-14)5-4-10-18(15,21)12-20-25(22,23)17-7-3-2-6-16(17)19/h2-3,6-9,11,20-21H,4-5,10,12H2,1H3/t18-/m0/s1
InChIKeyJRVTUEIYFKJBQD-SFHVURJKSA-N
MW381.88 g/mol
LogP2.85
Rot. Bonds5

About 2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide

2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide (PubChem CID 100731565) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide
PubChem CID100731565
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide
SMILESCOc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C18H20ClNO4S/c1-24-14-8-9-15-13(11-14)5-4-10-18(15,21)12-20-25(22,23)17-7-3-2-6-16(17)19/h2-3,6-9,11,20-21H,4-5,10,12H2,1H3/t18-/m0/s1
InChIKeyJRVTUEIYFKJBQD-SFHVURJKSA-N
XLogP2.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 100731774
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 91631140
methyl 3-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methylsulfamoyl]thiophene-2-carboxylate
CID 100731729
methyl 3-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methylsulfamoyl]-4-methoxybenzoate
CID 100731990
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 91631137
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 71782189
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2,2-dimethylpropanamide
CID 91631098
N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,2-dimethylpropanamide
CID 100730792
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91631146
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzenesulfonamide
CID 90499095
2-ethoxy-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
CID 91631099
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-2-methylbenzenesulfonamide
CID 110294640

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide (CID 100731565) is 2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide is COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide?
The InChIKey is JRVTUEIYFKJBQD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-24-14-8-9-15-13(11-14)5-4-10-18(15,21)12-20-25(22,23)17-7-3-2-6-16(17)19/h2-3,6-9,11,20-21H,4-5,10,12H2,1H3/t18-/m0/s1.
What are the key properties of 2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide?
2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide has a molecular weight of 381.88 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 100731565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).