ethyl N-[4-(benzylsulfamoyl)phenyl]carbamate

C16H18N2O4S — CID 571682

IUPACethyl N-[4-(benzylsulfamoyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-2-22-16(19)18-14-8-10-15(11-9-14)23(20,21)17-12-13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3,(H,18,19)
InChIKeyWFAMBNJDENGUOQ-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.73
Rot. Bonds6

About ethyl N-[4-(benzylsulfamoyl)phenyl]carbamate

ethyl N-[4-(benzylsulfamoyl)phenyl]carbamate (PubChem CID 571682) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl N-[4-(benzylsulfamoyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(benzylsulfamoyl)phenyl]carbamate
PubChem CID571682
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl N-[4-(benzylsulfamoyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-2-22-16(19)18-14-8-10-15(11-9-14)23(20,21)17-12-13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3,(H,18,19)
InChIKeyWFAMBNJDENGUOQ-UHFFFAOYSA-N
XLogP2.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(benzylsulfamoyl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(benzylsulfamoyl)phenyl]carbamate (CID 571682) is ethyl N-[4-(benzylsulfamoyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(benzylsulfamoyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(benzylsulfamoyl)phenyl]carbamate is CCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of ethyl N-[4-(benzylsulfamoyl)phenyl]carbamate?
The InChIKey is WFAMBNJDENGUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-2-22-16(19)18-14-8-10-15(11-9-14)23(20,21)17-12-13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3,(H,18,19).
What are the key properties of ethyl N-[4-(benzylsulfamoyl)phenyl]carbamate?
ethyl N-[4-(benzylsulfamoyl)phenyl]carbamate has a molecular weight of 334.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(benzylsulfamoyl)phenyl]carbamate is sourced from PubChem (CID 571682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).