N-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide

C18H23NO6S — CID 76900265

IUPACN-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(C(NS(C)(=O)=O)c2cccc(OC)c2OC)cc1OC
InChIInChI=1S/C18H23NO6S/c1-22-14-10-9-12(11-16(14)24-3)17(19-26(5,20)21)13-7-6-8-15(23-2)18(13)25-4/h6-11,17,19H,1-5H3
InChIKeyQWPBUVPWNCKPPE-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.36
Rot. Bonds8

About N-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide

N-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide (PubChem CID 76900265) has the molecular formula C18H23NO6S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide
PubChem CID76900265
Molecular FormulaC18H23NO6S
Molecular Weight381.45 g/mol
Exact Mass381.12
IUPAC NameN-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(C(NS(C)(=O)=O)c2cccc(OC)c2OC)cc1OC
InChIInChI=1S/C18H23NO6S/c1-22-14-10-9-12(11-16(14)24-3)17(19-26(5,20)21)13-7-6-8-15(23-2)18(13)25-4/h6-11,17,19H,1-5H3
InChIKeyQWPBUVPWNCKPPE-UHFFFAOYSA-N
XLogP2.36
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide (CID 76900265) is N-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide is COc1ccc(C(NS(C)(=O)=O)c2cccc(OC)c2OC)cc1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide?
The InChIKey is QWPBUVPWNCKPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6S/c1-22-14-10-9-12(11-16(14)24-3)17(19-26(5,20)21)13-7-6-8-15(23-2)18(13)25-4/h6-11,17,19H,1-5H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide?
N-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 76900265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).