2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide

C18H23NO6S — CID 90623505

IUPAC2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2ccc(OC)cc2OC)OC)c1
InChIInChI=1S/C18H23NO6S/c1-22-14-7-5-6-13(10-14)17(25-4)12-19-26(20,21)18-9-8-15(23-2)11-16(18)24-3/h5-11,17,19H,12H2,1-4H3
InChIKeyOPQQKMWAODCWCK-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.38
Rot. Bonds9

About 2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide

2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 90623505) has the molecular formula C18H23NO6S and a molecular weight of 381.45 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID90623505
Molecular FormulaC18H23NO6S
Molecular Weight381.45 g/mol
Exact Mass381.12
IUPAC Name2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2ccc(OC)cc2OC)OC)c1
InChIInChI=1S/C18H23NO6S/c1-22-14-7-5-6-13(10-14)17(25-4)12-19-26(20,21)18-9-8-15(23-2)11-16(18)24-3/h5-11,17,19H,12H2,1-4H3
InChIKeyOPQQKMWAODCWCK-UHFFFAOYSA-N
XLogP2.38
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168532
2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598905
3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168543
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 90623533
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,4-dimethoxybenzenesulfonamide
CID 90613527
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide
CID 90623438
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 62107638
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113101989

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide (CID 90623505) is 2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide is COc1cccc(C(CNS(=O)(=O)c2ccc(OC)cc2OC)OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is OPQQKMWAODCWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6S/c1-22-14-7-5-6-13(10-14)17(25-4)12-19-26(20,21)18-9-8-15(23-2)11-16(18)24-3/h5-11,17,19H,12H2,1-4H3.
What are the key properties of 2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90623505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).