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

C16H17F3N2O3S — CID 154846592

IUPAC3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide
SMILESCCOCc1cccc(S(=O)(=O)NCc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H17F3N2O3S/c1-2-24-11-12-5-3-7-14(9-12)25(22,23)20-10-13-6-4-8-15(21-13)16(17,18)19/h3-9,20H,2,10-11H2,1H3
InChIKeyRPWVSXAKZSJOQK-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.12
Rot. Bonds7

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

3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide (PubChem CID 154846592) has the molecular formula C16H17F3N2O3S and a molecular weight of 374.38 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide
PubChem CID154846592
Molecular FormulaC16H17F3N2O3S
Molecular Weight374.38 g/mol
Exact Mass374.09
IUPAC Name3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide
SMILESCCOCc1cccc(S(=O)(=O)NCc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H17F3N2O3S/c1-2-24-11-12-5-3-7-14(9-12)25(22,23)20-10-13-6-4-8-15(21-13)16(17,18)19/h3-9,20H,2,10-11H2,1H3
InChIKeyRPWVSXAKZSJOQK-UHFFFAOYSA-N
XLogP3.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145433996
1-(benzenesulfonyl)-3-(ethoxymethyl)benzene
CID 134455223
3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71689341
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967753
N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]formamide
CID 144611139
N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide
CID 47304916
N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide
CID 99819230
3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 47009155
3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 35616347
3-(methoxymethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721516
N-(3-aminobutyl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119972673
3-hydroxy-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 81259080

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide (CID 154846592) is 3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide is CCOCc1cccc(S(=O)(=O)NCc2cccc(C(F)(F)F)n2)c1.
What is the InChIKey of 3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is RPWVSXAKZSJOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3S/c1-2-24-11-12-5-3-7-14(9-12)25(22,23)20-10-13-6-4-8-15(21-13)16(17,18)19/h3-9,20H,2,10-11H2,1H3.
What are the key properties of 3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide?
3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 374.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 154846592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).