N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C16H16F4N2O3S — CID 86604239

IUPACN-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1COCCF
InChIInChI=1S/C16H16F4N2O3S/c1-11-12(10-25-8-7-17)5-6-15(21-11)22-26(23,24)14-4-2-3-13(9-14)16(18,19)20/h2-6,9H,7-8,10H2,1H3,(H,21,22)
InChIKeyQEVFEKSJFUQAQL-UHFFFAOYSA-N
MW392.37 g/mol
LogP3.70
Rot. Bonds7

About N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 86604239) has the molecular formula C16H16F4N2O3S and a molecular weight of 392.37 g/mol. Its IUPAC name is N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID86604239
Molecular FormulaC16H16F4N2O3S
Molecular Weight392.37 g/mol
Exact Mass392.08
IUPAC NameN-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1COCCF
InChIInChI=1S/C16H16F4N2O3S/c1-11-12(10-25-8-7-17)5-6-15(21-11)22-26(23,24)14-4-2-3-13(9-14)16(18,19)20/h2-6,9H,7-8,10H2,1H3,(H,21,22)
InChIKeyQEVFEKSJFUQAQL-UHFFFAOYSA-N
XLogP3.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11611930
N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021
N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 115701458
N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 79496945
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 71807329
N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 104621164
N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 139864536
2-[3,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pyrazol-1-yl]acetic acid
CID 50959406
3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide
CID 106070385
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
CID 82724634
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 86604239) is N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1COCCF.
What is the InChIKey of N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QEVFEKSJFUQAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N2O3S/c1-11-12(10-25-8-7-17)5-6-15(21-11)22-26(23,24)14-4-2-3-13(9-14)16(18,19)20/h2-6,9H,7-8,10H2,1H3,(H,21,22).
What are the key properties of N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 392.37 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoroethoxymethyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 86604239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).