N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide

C18H23NO6S — CID 6734824

IUPACN-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1ccc(OC)c(OC)c1)C(O)c1ccccc1
InChIInChI=1S/C18H23NO6S/c1-23-12-15(18(20)13-7-5-4-6-8-13)19-26(21,22)14-9-10-16(24-2)17(11-14)25-3/h4-11,15,18-20H,12H2,1-3H3
InChIKeyLGKGFGHLIYGTDU-UHFFFAOYSA-N
MW381.45 g/mol
LogP1.73
Rot. Bonds9

About N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide

N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 6734824) has the molecular formula C18H23NO6S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID6734824
Molecular FormulaC18H23NO6S
Molecular Weight381.45 g/mol
Exact Mass381.12
IUPAC NameN-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1ccc(OC)c(OC)c1)C(O)c1ccccc1
InChIInChI=1S/C18H23NO6S/c1-23-12-15(18(20)13-7-5-4-6-8-13)19-26(21,22)14-9-10-16(24-2)17(11-14)25-3/h4-11,15,18-20H,12H2,1-3H3
InChIKeyLGKGFGHLIYGTDU-UHFFFAOYSA-N
XLogP1.73
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3721813
N-[(2R)-4-(3,4-dimethoxyphenyl)-1-hydroxy-1-phenylbutan-2-yl]-4-nitrobenzenesulfonamide
CID 102189950
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 124548042
N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 54774549
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide
CID 28538711
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28538128
(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 42184451
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538757
3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 110322110
N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 51697625

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide (CID 6734824) is N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide is COCC(NS(=O)(=O)c1ccc(OC)c(OC)c1)C(O)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is LGKGFGHLIYGTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6S/c1-23-12-15(18(20)13-7-5-4-6-8-13)19-26(21,22)14-9-10-16(24-2)17(11-14)25-3/h4-11,15,18-20H,12H2,1-3H3.
What are the key properties of N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide?
N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 6734824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).