N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide

C15H16F3N3O3S — CID 55642240

IUPACN-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C)c1cc(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)ccn1
InChIInChI=1S/C15H16F3N3O3S/c1-21(2)14-8-11(6-7-19-14)10-20-25(22,23)13-5-3-4-12(9-13)24-15(16,17)18/h3-9,20H,10H2,1-2H3
InChIKeyITCLGDRNOFXKJT-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.52
Rot. Bonds6

About N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 55642240) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID55642240
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C)c1cc(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)ccn1
InChIInChI=1S/C15H16F3N3O3S/c1-21(2)14-8-11(6-7-19-14)10-20-25(22,23)13-5-3-4-12(9-13)24-15(16,17)18/h3-9,20H,10H2,1-2H3
InChIKeyITCLGDRNOFXKJT-UHFFFAOYSA-N
XLogP2.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide
CID 55642208
N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680
3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3779022
N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90596443
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 55663598
N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
CID 158913042
2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide
CID 55642050
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 35390128
N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119965033
N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119973870
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 39657352

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide (CID 55642240) is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide is CN(C)c1cc(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)ccn1.
What is the InChIKey of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ITCLGDRNOFXKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c1-21(2)14-8-11(6-7-19-14)10-20-25(22,23)13-5-3-4-12(9-13)24-15(16,17)18/h3-9,20H,10H2,1-2H3.
What are the key properties of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide?
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 55642240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).