methyl N-(4-chlorosulfonylphenyl)carbamate

C8H8ClNO4S — CID 611894

IUPACmethyl N-(4-chlorosulfonylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H8ClNO4S/c1-14-8(11)10-6-2-4-7(5-3-6)15(9,12)13/h2-5H,1H3,(H,10,11)
InChIKeyPXQWDWGLZDPBET-UHFFFAOYSA-N
MW249.68 g/mol
LogP1.79
Rot. Bonds2

About methyl N-(4-chlorosulfonylphenyl)carbamate

methyl N-(4-chlorosulfonylphenyl)carbamate (PubChem CID 611894) has the molecular formula C8H8ClNO4S and a molecular weight of 249.68 g/mol. Its IUPAC name is methyl N-(4-chlorosulfonylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-chlorosulfonylphenyl)carbamate
PubChem CID611894
Molecular FormulaC8H8ClNO4S
Molecular Weight249.68 g/mol
Exact Mass248.99
IUPAC Namemethyl N-(4-chlorosulfonylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H8ClNO4S/c1-14-8(11)10-6-2-4-7(5-3-6)15(9,12)13/h2-5H,1H3,(H,10,11)
InChIKeyPXQWDWGLZDPBET-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-chlorosulfonylphenyl)carbamate?
The IUPAC name of methyl N-(4-chlorosulfonylphenyl)carbamate (CID 611894) is methyl N-(4-chlorosulfonylphenyl)carbamate.
What is the SMILES notation for methyl N-(4-chlorosulfonylphenyl)carbamate?
The canonical SMILES for methyl N-(4-chlorosulfonylphenyl)carbamate is COC(=O)Nc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of methyl N-(4-chlorosulfonylphenyl)carbamate?
The InChIKey is PXQWDWGLZDPBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO4S/c1-14-8(11)10-6-2-4-7(5-3-6)15(9,12)13/h2-5H,1H3,(H,10,11).
What are the key properties of methyl N-(4-chlorosulfonylphenyl)carbamate?
methyl N-(4-chlorosulfonylphenyl)carbamate has a molecular weight of 249.68 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-chlorosulfonylphenyl)carbamate is sourced from PubChem (CID 611894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).