6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide

C12H16F2N2O3S — CID 107337254

IUPAC6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCN(CC(F)F)S(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C12H16F2N2O3S/c1-16(7-11(13)14)20(17,18)10-6-9(15)5-8-3-2-4-19-12(8)10/h5-6,11H,2-4,7,15H2,1H3
InChIKeyHMAVGBSDVXKRAQ-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.48
Rot. Bonds4

About 6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide

6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337254) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337254
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCN(CC(F)F)S(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C12H16F2N2O3S/c1-16(7-11(13)14)20(17,18)10-6-9(15)5-8-3-2-4-19-12(8)10/h5-6,11H,2-4,7,15H2,1H3
InChIKeyHMAVGBSDVXKRAQ-UHFFFAOYSA-N
XLogP1.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337254) is 6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide is CN(CC(F)F)S(=O)(=O)c1cc(N)cc2c1OCCC2.
What is the InChIKey of 6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is HMAVGBSDVXKRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-16(7-11(13)14)20(17,18)10-6-9(15)5-8-3-2-4-19-12(8)10/h5-6,11H,2-4,7,15H2,1H3.
What are the key properties of 6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 306.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).