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

C11H13F3N2O3S — CID 107336996

IUPAC6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)NCC(F)(F)F)c1)OCCC2
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)6-16-20(17,18)9-5-8(15)4-7-2-1-3-19-10(7)9/h4-5,16H,1-3,6,15H2
InChIKeySZJJIABOLSVKEW-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.43
Rot. Bonds3

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

6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107336996) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107336996
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)NCC(F)(F)F)c1)OCCC2
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)6-16-20(17,18)9-5-8(15)4-7-2-1-3-19-10(7)9/h4-5,16H,1-3,6,15H2
InChIKeySZJJIABOLSVKEW-UHFFFAOYSA-N
XLogP1.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107336996) is 6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide is Nc1cc2c(c(S(=O)(=O)NCC(F)(F)F)c1)OCCC2.
What is the InChIKey of 6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is SZJJIABOLSVKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c12-11(13,14)6-16-20(17,18)9-5-8(15)4-7-2-1-3-19-10(7)9/h4-5,16H,1-3,6,15H2.
What are the key properties of 6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 310.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107336996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).