[(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate

C10H14N2O6S2 — CID 53240864

IUPAC[(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate
SMILESCN(C)C(=O)ONS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C10H14N2O6S2/c1-12(2)10(13)18-11-20(16,17)9-7-5-4-6-8(9)19(3,14)15/h4-7,11H,1-3H3
InChIKeyAAZARIMPTJYJFT-UHFFFAOYSA-N
MW322.36 g/mol
LogP-0.02
Rot. Bonds4

About [(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate

[(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate (PubChem CID 53240864) has the molecular formula C10H14N2O6S2 and a molecular weight of 322.36 g/mol. Its IUPAC name is [(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate
PubChem CID53240864
Molecular FormulaC10H14N2O6S2
Molecular Weight322.36 g/mol
Exact Mass322.03
IUPAC Name[(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate
SMILESCN(C)C(=O)ONS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C10H14N2O6S2/c1-12(2)10(13)18-11-20(16,17)9-7-5-4-6-8(9)19(3,14)15/h4-7,11H,1-3H3
InChIKeyAAZARIMPTJYJFT-UHFFFAOYSA-N
XLogP-0.02
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate?
The IUPAC name of [(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate (CID 53240864) is [(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate.
What is the SMILES notation for [(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate?
The canonical SMILES for [(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate is CN(C)C(=O)ONS(=O)(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of [(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate?
The InChIKey is AAZARIMPTJYJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S2/c1-12(2)10(13)18-11-20(16,17)9-7-5-4-6-8(9)19(3,14)15/h4-7,11H,1-3H3.
What are the key properties of [(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate?
[(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate has a molecular weight of 322.36 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylsulfonylphenyl)sulfonylamino] N,N-dimethylcarbamate is sourced from PubChem (CID 53240864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).