2-phenylethyl N-(4-sulfamoylphenyl)carbamate

C15H16N2O4S — CID 127525088

IUPAC2-phenylethyl N-(4-sulfamoylphenyl)carbamate
SMILESNS(=O)(=O)c1ccc(NC(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S/c16-22(19,20)14-8-6-13(7-9-14)17-15(18)21-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H2,16,19,20)
InChIKeyWTHKZGYNILWTPB-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.13
Rot. Bonds5

About 2-phenylethyl N-(4-sulfamoylphenyl)carbamate

2-phenylethyl N-(4-sulfamoylphenyl)carbamate (PubChem CID 127525088) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-phenylethyl N-(4-sulfamoylphenyl)carbamate.

Molecular Properties

Compound Name2-phenylethyl N-(4-sulfamoylphenyl)carbamate
PubChem CID127525088
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-phenylethyl N-(4-sulfamoylphenyl)carbamate
SMILESNS(=O)(=O)c1ccc(NC(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S/c16-22(19,20)14-8-6-13(7-9-14)17-15(18)21-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H2,16,19,20)
InChIKeyWTHKZGYNILWTPB-UHFFFAOYSA-N
XLogP2.13
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N-(4-sulfamoylphenyl)carbamate?
The IUPAC name of 2-phenylethyl N-(4-sulfamoylphenyl)carbamate (CID 127525088) is 2-phenylethyl N-(4-sulfamoylphenyl)carbamate.
What is the SMILES notation for 2-phenylethyl N-(4-sulfamoylphenyl)carbamate?
The canonical SMILES for 2-phenylethyl N-(4-sulfamoylphenyl)carbamate is NS(=O)(=O)c1ccc(NC(=O)OCCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethyl N-(4-sulfamoylphenyl)carbamate?
The InChIKey is WTHKZGYNILWTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c16-22(19,20)14-8-6-13(7-9-14)17-15(18)21-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H2,16,19,20).
What are the key properties of 2-phenylethyl N-(4-sulfamoylphenyl)carbamate?
2-phenylethyl N-(4-sulfamoylphenyl)carbamate has a molecular weight of 320.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-(4-sulfamoylphenyl)carbamate is sourced from PubChem (CID 127525088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).