N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide

C16H15F3N2O4S — CID 126768267

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCOc2ccccc21)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H15F3N2O4S/c17-16(18,19)10-25-15-6-5-11(9-20-15)26(22,23)21-13-7-8-24-14-4-2-1-3-12(13)14/h1-6,9,13,21H,7-8,10H2
InChIKeyLZOGMJMTPKQZKA-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.82
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide

N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide (PubChem CID 126768267) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
PubChem CID126768267
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCOc2ccccc21)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H15F3N2O4S/c17-16(18,19)10-25-15-6-5-11(9-20-15)26(22,23)21-13-7-8-24-14-4-2-1-3-12(13)14/h1-6,9,13,21H,7-8,10H2
InChIKeyLZOGMJMTPKQZKA-UHFFFAOYSA-N
XLogP2.82
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111598450
N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 39096701
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide
CID 108781652
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 33346649
5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide
CID 34042955
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide
CID 33038573
(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
CID 94026699
N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 11857791
5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide
CID 106268057
N-(3,4-dihydro-2H-chromen-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077858

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide (CID 126768267) is N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide is O=S(=O)(NC1CCOc2ccccc21)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The InChIKey is LZOGMJMTPKQZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c17-16(18,19)10-25-15-6-5-11(9-20-15)26(22,23)21-13-7-8-24-14-4-2-1-3-12(13)14/h1-6,9,13,21H,7-8,10H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide has a molecular weight of 388.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 126768267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).