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

C11H14F2N2O3S — CID 107337175

IUPAC6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)NCC(F)F)c1)OCCC2
InChIInChI=1S/C11H14F2N2O3S/c12-10(13)6-15-19(16,17)9-5-8(14)4-7-2-1-3-18-11(7)9/h4-5,10,15H,1-3,6,14H2
InChIKeyPIJKHXVUQPMGOO-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.14
Rot. Bonds4

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

6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337175) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337175
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)NCC(F)F)c1)OCCC2
InChIInChI=1S/C11H14F2N2O3S/c12-10(13)6-15-19(16,17)9-5-8(14)4-7-2-1-3-18-11(7)9/h4-5,10,15H,1-3,6,14H2
InChIKeyPIJKHXVUQPMGOO-UHFFFAOYSA-N
XLogP1.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 4882132
N-(4-piperidin-4-yl-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 11407979
N-(4-piperidin-4-yl-3,4-dihydro-2H-chromen-6-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 69793756
2-ethoxy-N,N-diethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 24421960
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 24445999
2-ethoxy-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 24502196
5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 28970045
5-amino-N-[(4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 29032937
5-amino-N-[(2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 29547370
2-Ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 43069686
5-amino-2-ethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43662920
2-ethoxy-N,N-diethyl-5-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 56065862

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337175) is 6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide is Nc1cc2c(c(S(=O)(=O)NCC(F)F)c1)OCCC2.
What is the InChIKey of 6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is PIJKHXVUQPMGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c12-10(13)6-15-19(16,17)9-5-8(14)4-7-2-1-3-18-11(7)9/h4-5,10,15H,1-3,6,14H2.
What are the key properties of 6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 292.31 g/mol, XLogP of 1.14, 4 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-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).