N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide

C10H16N2O6S2 — CID 82838671

IUPACN-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide
SMILESCOc1cc(N)c(NS(=O)(=O)CS(C)(=O)=O)cc1OC
InChIInChI=1S/C10H16N2O6S2/c1-17-9-4-7(11)8(5-10(9)18-2)12-20(15,16)6-19(3,13)14/h4-5,12H,6,11H2,1-3H3
InChIKeyVHDJLYRMJUDAFG-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.03
Rot. Bonds6

About N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide

N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide (PubChem CID 82838671) has the molecular formula C10H16N2O6S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide
PubChem CID82838671
Molecular FormulaC10H16N2O6S2
Molecular Weight324.38 g/mol
Exact Mass324.04
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide
SMILESCOc1cc(N)c(NS(=O)(=O)CS(C)(=O)=O)cc1OC
InChIInChI=1S/C10H16N2O6S2/c1-17-9-4-7(11)8(5-10(9)18-2)12-20(15,16)6-19(3,13)14/h4-5,12H,6,11H2,1-3H3
InChIKeyVHDJLYRMJUDAFG-UHFFFAOYSA-N
XLogP0.03
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520845
N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide
CID 60859772
4,5-dimethoxy-2-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
CID 83008502
N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide
CID 57266401
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
2-(2-amino-4,5-dimethoxyanilino)acetamide
CID 83001750
N-(5-amino-2-methylphenyl)-1-methylsulfonylmethanesulfonamide
CID 82839900
methyl 2-(2-amino-4,5-dimethoxyanilino)acetate
CID 83001432
N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 62063840
methyl 3-(2-amino-4,5-dimethoxyanilino)propanoate
CID 83001699
2-(2-amino-4,5-dimethoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845823

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide (CID 82838671) is N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide is COc1cc(N)c(NS(=O)(=O)CS(C)(=O)=O)cc1OC.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is VHDJLYRMJUDAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6S2/c1-17-9-4-7(11)8(5-10(9)18-2)12-20(15,16)6-19(3,13)14/h4-5,12H,6,11H2,1-3H3.
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide?
N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 324.38 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethoxyphenyl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82838671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).