N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide

C18H17NO3S — CID 3557197

IUPACN-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NC(CO)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H17NO3S/c20-13-18(15-7-2-1-3-8-15)19-23(21,22)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-20H,13H2
InChIKeyHGHZQEOFTOUACF-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.85
Rot. Bonds5

About N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide

N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide (PubChem CID 3557197) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
PubChem CID3557197
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NC(CO)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H17NO3S/c20-13-18(15-7-2-1-3-8-15)19-23(21,22)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-20H,13H2
InChIKeyHGHZQEOFTOUACF-UHFFFAOYSA-N
XLogP2.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
3-amino-4-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861953
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211
4-bromo-3-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825685
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
CID 79255723
3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide
CID 71911398

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide (CID 3557197) is N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide is O=S(=O)(NC(CO)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide?
The InChIKey is HGHZQEOFTOUACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c20-13-18(15-7-2-1-3-8-15)19-23(21,22)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-20H,13H2.
What are the key properties of N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide?
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 3557197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).