2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate

C16H17FN2O4S — CID 6736837

IUPAC2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
SMILESNS(=O)(=O)c1ccc(CNC(=O)OCCc2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O4S/c17-15-4-2-1-3-13(15)9-10-23-16(20)19-11-12-5-7-14(8-6-12)24(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22)
InChIKeyVAJXAJCNNKITJG-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.94
Rot. Bonds6

About 2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate

2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate (PubChem CID 6736837) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate.

Molecular Properties

Compound Name2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
PubChem CID6736837
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
SMILESNS(=O)(=O)c1ccc(CNC(=O)OCCc2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O4S/c17-15-4-2-1-3-13(15)9-10-23-16(20)19-11-12-5-7-14(8-6-12)24(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22)
InChIKeyVAJXAJCNNKITJG-UHFFFAOYSA-N
XLogP1.94
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The IUPAC name of 2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate (CID 6736837) is 2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate.
What is the SMILES notation for 2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The canonical SMILES for 2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate is NS(=O)(=O)c1ccc(CNC(=O)OCCc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The InChIKey is VAJXAJCNNKITJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c17-15-4-2-1-3-13(15)9-10-23-16(20)19-11-12-5-7-14(8-6-12)24(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22).
What are the key properties of 2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate?
2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate has a molecular weight of 352.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)ethyl N-[(4-sulfamoylphenyl)methyl]carbamate is sourced from PubChem (CID 6736837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).