N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide

C16H19NO5S — CID 5016211

IUPACN-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CO)c2ccccc2)cc1OC
InChIInChI=1S/C16H19NO5S/c1-21-15-9-8-13(10-16(15)22-2)23(19,20)17-14(11-18)12-6-4-3-5-7-12/h3-10,14,17-18H,11H2,1-2H3
InChIKeyVAMMEEHRVXFTKF-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.72
Rot. Bonds7

About N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide

N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 5016211) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID5016211
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC NameN-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CO)c2ccccc2)cc1OC
InChIInChI=1S/C16H19NO5S/c1-21-15-9-8-13(10-16(15)22-2)23(19,20)17-14(11-18)12-6-4-3-5-7-12/h3-10,14,17-18H,11H2,1-2H3
InChIKeyVAMMEEHRVXFTKF-UHFFFAOYSA-N
XLogP1.72
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 54774549
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3721813
N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 6734824
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 51697625
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide
CID 63182937

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide (CID 5016211) is N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(CO)c2ccccc2)cc1OC.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is VAMMEEHRVXFTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-21-15-9-8-13(10-16(15)22-2)23(19,20)17-14(11-18)12-6-4-3-5-7-12/h3-10,14,17-18H,11H2,1-2H3.
What are the key properties of N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide?
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 5016211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).