benzyl N-(2-chlorosulfonylethyl)carbamate

C10H12ClNO4S — CID 13255033

IUPACbenzyl N-(2-chlorosulfonylethyl)carbamate
SMILESO=C(NCCS(=O)(=O)Cl)OCc1ccccc1
InChIInChI=1S/C10H12ClNO4S/c11-17(14,15)7-6-12-10(13)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKeyCRVCWUXOKRGDGD-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.48
Rot. Bonds5

About benzyl N-(2-chlorosulfonylethyl)carbamate

benzyl N-(2-chlorosulfonylethyl)carbamate (PubChem CID 13255033) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is benzyl N-(2-chlorosulfonylethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-chlorosulfonylethyl)carbamate
PubChem CID13255033
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Namebenzyl N-(2-chlorosulfonylethyl)carbamate
SMILESO=C(NCCS(=O)(=O)Cl)OCc1ccccc1
InChIInChI=1S/C10H12ClNO4S/c11-17(14,15)7-6-12-10(13)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKeyCRVCWUXOKRGDGD-UHFFFAOYSA-N
XLogP1.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-chlorosulfonylethyl)carbamate?
The IUPAC name of benzyl N-(2-chlorosulfonylethyl)carbamate (CID 13255033) is benzyl N-(2-chlorosulfonylethyl)carbamate.
What is the SMILES notation for benzyl N-(2-chlorosulfonylethyl)carbamate?
The canonical SMILES for benzyl N-(2-chlorosulfonylethyl)carbamate is O=C(NCCS(=O)(=O)Cl)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-chlorosulfonylethyl)carbamate?
The InChIKey is CRVCWUXOKRGDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c11-17(14,15)7-6-12-10(13)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13).
What are the key properties of benzyl N-(2-chlorosulfonylethyl)carbamate?
benzyl N-(2-chlorosulfonylethyl)carbamate has a molecular weight of 277.73 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-chlorosulfonylethyl)carbamate is sourced from PubChem (CID 13255033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).