methyl N-(4-chlorophenyl)sulfonylcarbamate

C8H8ClNO4S — CID 5013687

IUPACmethyl N-(4-chlorophenyl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)
InChIKeyFCMYFMSWNFVHAC-UHFFFAOYSA-N
MW249.68 g/mol
LogP1.38
Rot. Bonds2

About methyl N-(4-chlorophenyl)sulfonylcarbamate

methyl N-(4-chlorophenyl)sulfonylcarbamate (PubChem CID 5013687) has the molecular formula C8H8ClNO4S and a molecular weight of 249.68 g/mol. Its IUPAC name is methyl N-(4-chlorophenyl)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-(4-chlorophenyl)sulfonylcarbamate
PubChem CID5013687
Molecular FormulaC8H8ClNO4S
Molecular Weight249.68 g/mol
Exact Mass248.99
IUPAC Namemethyl N-(4-chlorophenyl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)
InChIKeyFCMYFMSWNFVHAC-UHFFFAOYSA-N
XLogP1.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.68
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-(4-chlorophenyl)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-chlorophenyl)sulfonylcarbamate?
The IUPAC name of methyl N-(4-chlorophenyl)sulfonylcarbamate (CID 5013687) is methyl N-(4-chlorophenyl)sulfonylcarbamate.
What is the SMILES notation for methyl N-(4-chlorophenyl)sulfonylcarbamate?
The canonical SMILES for methyl N-(4-chlorophenyl)sulfonylcarbamate is COC(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl N-(4-chlorophenyl)sulfonylcarbamate?
The InChIKey is FCMYFMSWNFVHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11).
What are the key properties of methyl N-(4-chlorophenyl)sulfonylcarbamate?
methyl N-(4-chlorophenyl)sulfonylcarbamate has a molecular weight of 249.68 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-chlorophenyl)sulfonylcarbamate is sourced from PubChem (CID 5013687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).