[(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate

C12H18N2O7S2 — CID 53240870

IUPAC[(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate
SMILESCOCCN(C)C(=O)ONS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H18N2O7S2/c1-14(8-9-20-2)12(15)21-13-23(18,19)11-7-5-4-6-10(11)22(3,16)17/h4-7,13H,8-9H2,1-3H3
InChIKeyRAUZBQWOBIDYHS-UHFFFAOYSA-N
MW366.42 g/mol
LogP-0.00
Rot. Bonds7

About [(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate

[(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate (PubChem CID 53240870) has the molecular formula C12H18N2O7S2 and a molecular weight of 366.42 g/mol. Its IUPAC name is [(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Name[(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate
PubChem CID53240870
Molecular FormulaC12H18N2O7S2
Molecular Weight366.42 g/mol
Exact Mass366.06
IUPAC Name[(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate
SMILESCOCCN(C)C(=O)ONS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H18N2O7S2/c1-14(8-9-20-2)12(15)21-13-23(18,19)11-7-5-4-6-10(11)22(3,16)17/h4-7,13H,8-9H2,1-3H3
InChIKeyRAUZBQWOBIDYHS-UHFFFAOYSA-N
XLogP-0.00
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate?
The IUPAC name of [(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate (CID 53240870) is [(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate.
What is the SMILES notation for [(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate?
The canonical SMILES for [(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate is COCCN(C)C(=O)ONS(=O)(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of [(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate?
The InChIKey is RAUZBQWOBIDYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O7S2/c1-14(8-9-20-2)12(15)21-13-23(18,19)11-7-5-4-6-10(11)22(3,16)17/h4-7,13H,8-9H2,1-3H3.
What are the key properties of [(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate?
[(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate has a molecular weight of 366.42 g/mol, XLogP of -0.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylsulfonylphenyl)sulfonylamino] N-(2-methoxyethyl)-N-methylcarbamate is sourced from PubChem (CID 53240870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).