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

C14H13F3N2O3S — CID 68842950

IUPACN-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F3N2O3S/c1-22-9-11-5-3-7-13(18-11)19-23(20,21)12-6-2-4-10(8-12)14(15,16)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyAEIFCFNTVCHVBV-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.05
Rot. Bonds5

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

N-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 68842950) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID68842950
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC NameN-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F3N2O3S/c1-22-9-11-5-3-7-13(18-11)19-23(20,21)12-6-2-4-10(8-12)14(15,16)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyAEIFCFNTVCHVBV-UHFFFAOYSA-N
XLogP3.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 68842950) is N-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is COCc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AEIFCFNTVCHVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c1-22-9-11-5-3-7-13(18-11)19-23(20,21)12-6-2-4-10(8-12)14(15,16)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 346.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methoxymethyl)-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 68842950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).