2-(benzenesulfonyl)ethyl N-phenylcarbamate

C15H15NO4S — CID 14081594

IUPAC2-(benzenesulfonyl)ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c17-15(16-13-7-3-1-4-8-13)20-11-12-21(18,19)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyXQUPPQFTIPSYQF-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.71
Rot. Bonds5

About 2-(benzenesulfonyl)ethyl N-phenylcarbamate

2-(benzenesulfonyl)ethyl N-phenylcarbamate (PubChem CID 14081594) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethyl N-phenylcarbamate
PubChem CID14081594
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-(benzenesulfonyl)ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c17-15(16-13-7-3-1-4-8-13)20-11-12-21(18,19)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyXQUPPQFTIPSYQF-UHFFFAOYSA-N
XLogP2.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
3-methylbutyl N-phenylcarbamate
CID 69480810
benzene;5-carbamoyloxypentyl N-phenylcarbamate
CID 157392925
2-ethoxyethyl N-phenylcarbamate
CID 4101389
2-phenylethyl N-(4-sulfamoylphenyl)carbamate
CID 127525088
3,5-bis(phenylcarbamoyloxy)pentyl N-phenylcarbamate
CID 20688817
2-(phenylcarbamoylsulfanyl)ethyl N-phenylcarbamate
CID 58663822
dodecyl N-phenylcarbamate
CID 521818
2-nitroethyl N-phenylcarbamate
CID 154110399
pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate
CID 2249987
[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)ethyl N-phenylcarbamate?
The IUPAC name of 2-(benzenesulfonyl)ethyl N-phenylcarbamate (CID 14081594) is 2-(benzenesulfonyl)ethyl N-phenylcarbamate.
What is the SMILES notation for 2-(benzenesulfonyl)ethyl N-phenylcarbamate?
The canonical SMILES for 2-(benzenesulfonyl)ethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)ethyl N-phenylcarbamate?
The InChIKey is XQUPPQFTIPSYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-15(16-13-7-3-1-4-8-13)20-11-12-21(18,19)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17).
What are the key properties of 2-(benzenesulfonyl)ethyl N-phenylcarbamate?
2-(benzenesulfonyl)ethyl N-phenylcarbamate has a molecular weight of 305.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethyl N-phenylcarbamate is sourced from PubChem (CID 14081594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).