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

C12H15F3N2O3S — CID 107337059

IUPAC6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C12H15F3N2O3S/c1-17(7-12(13,14)15)21(18,19)10-6-9(16)5-8-3-2-4-20-11(8)10/h5-6H,2-4,7,16H2,1H3
InChIKeyPVLOMGKZIUQGIK-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.78
Rot. Bonds3

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

6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337059) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337059
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C12H15F3N2O3S/c1-17(7-12(13,14)15)21(18,19)10-6-9(16)5-8-3-2-4-20-11(8)10/h5-6H,2-4,7,16H2,1H3
InChIKeyPVLOMGKZIUQGIK-UHFFFAOYSA-N
XLogP1.78
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.78
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-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337059) is 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1cc(N)cc2c1OCCC2.
What is the InChIKey of 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is PVLOMGKZIUQGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-17(7-12(13,14)15)21(18,19)10-6-9(16)5-8-3-2-4-20-11(8)10/h5-6H,2-4,7,16H2,1H3.
What are the key properties of 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 324.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).