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

C12H15F3N2O3S — CID 107337123

IUPAC6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)NCCC(F)(F)F)c1)OCCC2
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)3-4-17-21(18,19)10-7-9(16)6-8-2-1-5-20-11(8)10/h6-7,17H,1-5,16H2
InChIKeyBZMITTAGNVRGAZ-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.82
Rot. Bonds4

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

6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337123) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337123
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)NCCC(F)(F)F)c1)OCCC2
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)3-4-17-21(18,19)10-7-9(16)6-8-2-1-5-20-11(8)10/h6-7,17H,1-5,16H2
InChIKeyBZMITTAGNVRGAZ-UHFFFAOYSA-N
XLogP1.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
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-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337123) is 6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide is Nc1cc2c(c(S(=O)(=O)NCCC(F)(F)F)c1)OCCC2.
What is the InChIKey of 6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is BZMITTAGNVRGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c13-12(14,15)3-4-17-21(18,19)10-7-9(16)6-8-2-1-5-20-11(8)10/h6-7,17H,1-5,16H2.
What are the key properties of 6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 324.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).