N-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide

C12H15FN2O4S — CID 114267189

IUPACN-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(C(=O)NCCF)CCO2
InChIInChI=1S/C12H15FN2O4S/c13-4-5-15-12(16)9-3-6-19-11-2-1-8(7-10(9)11)20(14,17)18/h1-2,7,9H,3-6H2,(H,15,16)(H2,14,17,18)
InChIKeyAECBVVFIYLGPLS-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.29
Rot. Bonds4

About N-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide

N-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 114267189) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID114267189
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC NameN-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(C(=O)NCCF)CCO2
InChIInChI=1S/C12H15FN2O4S/c13-4-5-15-12(16)9-3-6-19-11-2-1-8(7-10(9)11)20(14,17)18/h1-2,7,9H,3-6H2,(H,15,16)(H2,14,17,18)
InChIKeyAECBVVFIYLGPLS-UHFFFAOYSA-N
XLogP0.29
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide (CID 114267189) is N-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide is NS(=O)(=O)c1ccc2c(c1)C(C(=O)NCCF)CCO2.
What is the InChIKey of N-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is AECBVVFIYLGPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c13-4-5-15-12(16)9-3-6-19-11-2-1-8(7-10(9)11)20(14,17)18/h1-2,7,9H,3-6H2,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide?
N-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 114267189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).