benzyl N-chlorosulfonylcarbamate

C8H8ClNO4S — CID 14947136

IUPACbenzyl N-chlorosulfonylcarbamate
SMILESO=C(NS(=O)(=O)Cl)OCc1ccccc1
InChIInChI=1S/C8H8ClNO4S/c9-15(12,13)10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKeyBCSYQDOKTDVISP-UHFFFAOYSA-N
MW249.68 g/mol
LogP1.40
Rot. Bonds3

About benzyl N-chlorosulfonylcarbamate

benzyl N-chlorosulfonylcarbamate (PubChem CID 14947136) has the molecular formula C8H8ClNO4S and a molecular weight of 249.68 g/mol. Its IUPAC name is benzyl N-chlorosulfonylcarbamate.

Molecular Properties

Compound Namebenzyl N-chlorosulfonylcarbamate
PubChem CID14947136
Molecular FormulaC8H8ClNO4S
Molecular Weight249.68 g/mol
Exact Mass248.99
IUPAC Namebenzyl N-chlorosulfonylcarbamate
SMILESO=C(NS(=O)(=O)Cl)OCc1ccccc1
InChIInChI=1S/C8H8ClNO4S/c9-15(12,13)10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKeyBCSYQDOKTDVISP-UHFFFAOYSA-N
XLogP1.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.68
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-chlorosulfonylcarbamate?
The IUPAC name of benzyl N-chlorosulfonylcarbamate (CID 14947136) is benzyl N-chlorosulfonylcarbamate.
What is the SMILES notation for benzyl N-chlorosulfonylcarbamate?
The canonical SMILES for benzyl N-chlorosulfonylcarbamate is O=C(NS(=O)(=O)Cl)OCc1ccccc1.
What is the InChIKey of benzyl N-chlorosulfonylcarbamate?
The InChIKey is BCSYQDOKTDVISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO4S/c9-15(12,13)10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11).
What are the key properties of benzyl N-chlorosulfonylcarbamate?
benzyl N-chlorosulfonylcarbamate has a molecular weight of 249.68 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-chlorosulfonylcarbamate is sourced from PubChem (CID 14947136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).