N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C22H23NO3S — CID 95367237

IUPACN-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23NO3S/c24-22(21-11-5-9-17-7-3-4-10-20(17)21)15-23-27(25,26)19-13-12-16-6-1-2-8-18(16)14-19/h3-5,7,9-14,22-24H,1-2,6,8,15H2/t22-/m0/s1
InChIKeyOMHVPXJNAJQVQX-QFIPXVFZSA-N
MW381.50 g/mol
LogP3.73
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 95367237) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID95367237
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23NO3S/c24-22(21-11-5-9-17-7-3-4-10-20(17)21)15-23-27(25,26)19-13-12-16-6-1-2-8-18(16)14-19/h3-5,7,9-14,22-24H,1-2,6,8,15H2/t22-/m0/s1
InChIKeyOMHVPXJNAJQVQX-QFIPXVFZSA-N
XLogP3.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl)naphthalene-2-sulfonamide
CID 9543486
N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide
CID 2812775
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56765486
N-[(E,13R)-14-amino-13,15-dihydroxypentadec-11-enyl]pyrene-1-sulfonamide
CID 44286685
2-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 56764138
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide
CID 3363192
N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 2755296
N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 10642736
N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 102316398
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56764232
4-fluoro-N-(1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl)benzenesulfonamide
CID 21078593
4-fluoro-N-(1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl)benzenesulfonamide
CID 21078596

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 95367237) is N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is OMHVPXJNAJQVQX-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23NO3S/c24-22(21-11-5-9-17-7-3-4-10-20(17)21)15-23-27(25,26)19-13-12-16-6-1-2-8-18(16)14-19/h3-5,7,9-14,22-24H,1-2,6,8,15H2/t22-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 381.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 95367237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).