(4-methylsulfonylphenyl) N-methylcarbamate

C9H11NO4S — CID 12771050

IUPAC(4-methylsulfonylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H11NO4S/c1-10-9(11)14-7-3-5-8(6-4-7)15(2,12)13/h3-6H,1-2H3,(H,10,11)
InChIKeyRVSKCLSSRGVFOD-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.81
Rot. Bonds2

About (4-methylsulfonylphenyl) N-methylcarbamate

(4-methylsulfonylphenyl) N-methylcarbamate (PubChem CID 12771050) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is (4-methylsulfonylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(4-methylsulfonylphenyl) N-methylcarbamate
PubChem CID12771050
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name(4-methylsulfonylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H11NO4S/c1-10-9(11)14-7-3-5-8(6-4-7)15(2,12)13/h3-6H,1-2H3,(H,10,11)
InChIKeyRVSKCLSSRGVFOD-UHFFFAOYSA-N
XLogP0.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl) N-methylcarbamate?
The IUPAC name of (4-methylsulfonylphenyl) N-methylcarbamate (CID 12771050) is (4-methylsulfonylphenyl) N-methylcarbamate.
What is the SMILES notation for (4-methylsulfonylphenyl) N-methylcarbamate?
The canonical SMILES for (4-methylsulfonylphenyl) N-methylcarbamate is CNC(=O)Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (4-methylsulfonylphenyl) N-methylcarbamate?
The InChIKey is RVSKCLSSRGVFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-10-9(11)14-7-3-5-8(6-4-7)15(2,12)13/h3-6H,1-2H3,(H,10,11).
What are the key properties of (4-methylsulfonylphenyl) N-methylcarbamate?
(4-methylsulfonylphenyl) N-methylcarbamate has a molecular weight of 229.26 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl) N-methylcarbamate is sourced from PubChem (CID 12771050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).