methyl N-(4-aminophenyl)sulfonylcarbamate

C8H10N2O4S — CID 18752

IUPACmethyl N-(4-aminophenyl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)
InChIKeyVGPYEHKOIGNJKV-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.31
Rot. Bonds2

About methyl N-(4-aminophenyl)sulfonylcarbamate

methyl N-(4-aminophenyl)sulfonylcarbamate (PubChem CID 18752) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is methyl N-(4-aminophenyl)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-(4-aminophenyl)sulfonylcarbamate
PubChem CID18752
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Namemethyl N-(4-aminophenyl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)
InChIKeyVGPYEHKOIGNJKV-UHFFFAOYSA-N
XLogP0.31
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N-(4-aminophenyl)sulfonylcarbamate 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 methyl N-(4-aminophenyl)sulfonylcarbamate?
The IUPAC name of methyl N-(4-aminophenyl)sulfonylcarbamate (CID 18752) is methyl N-(4-aminophenyl)sulfonylcarbamate.
What is the SMILES notation for methyl N-(4-aminophenyl)sulfonylcarbamate?
The canonical SMILES for methyl N-(4-aminophenyl)sulfonylcarbamate is COC(=O)NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of methyl N-(4-aminophenyl)sulfonylcarbamate?
The InChIKey is VGPYEHKOIGNJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11).
What are the key properties of methyl N-(4-aminophenyl)sulfonylcarbamate?
methyl N-(4-aminophenyl)sulfonylcarbamate has a molecular weight of 230.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-aminophenyl)sulfonylcarbamate is sourced from PubChem (CID 18752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).