N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide

C10H13F3N2O3S — CID 62998761

IUPACN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C10H13F3N2O3S/c1-7(2)19(16,17)15-8-3-4-9(14-5-8)18-6-10(11,12)13/h3-5,7,15H,6H2,1-2H3
InChIKeyLDIVSNLDJCPOET-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.17
Rot. Bonds5

About N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide

N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide (PubChem CID 62998761) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
PubChem CID62998761
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC NameN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C10H13F3N2O3S/c1-7(2)19(16,17)15-8-3-4-9(14-5-8)18-6-10(11,12)13/h3-5,7,15H,6H2,1-2H3
InChIKeyLDIVSNLDJCPOET-UHFFFAOYSA-N
XLogP2.17
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide
CID 61063335
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide
CID 166265973
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
N-(3-propan-2-ylcyclobutyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 103561117
N-(6-chloro-3-pyridinyl)propane-2-sulfonamide
CID 57157565
(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
CID 61156174
(2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide
CID 94641374
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 115922153

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide?
The IUPAC name of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide (CID 62998761) is N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide.
What is the SMILES notation for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide?
The canonical SMILES for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide?
The InChIKey is LDIVSNLDJCPOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-7(2)19(16,17)15-8-3-4-9(14-5-8)18-6-10(11,12)13/h3-5,7,15H,6H2,1-2H3.
What are the key properties of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide?
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide has a molecular weight of 298.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide is sourced from PubChem (CID 62998761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).