N-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide

C14H13F3N2O3S — CID 67866413

IUPACN-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H13F3N2O3S/c1-10-2-3-11(8-18-10)19-23(20,21)13-6-4-12(5-7-13)22-9-14(15,16)17/h2-8,19H,9H2,1H3
InChIKeyBGMDHWANEYAGGL-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.13
Rot. Bonds5

About N-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide

N-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide (PubChem CID 67866413) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
PubChem CID67866413
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC NameN-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H13F3N2O3S/c1-10-2-3-11(8-18-10)19-23(20,21)13-6-4-12(5-7-13)22-9-14(15,16)17/h2-8,19H,9H2,1H3
InChIKeyBGMDHWANEYAGGL-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The IUPAC name of N-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide (CID 67866413) is N-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide.
What is the SMILES notation for N-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The canonical SMILES for N-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cn1.
What is the InChIKey of N-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The InChIKey is BGMDHWANEYAGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c1-10-2-3-11(8-18-10)19-23(20,21)13-6-4-12(5-7-13)22-9-14(15,16)17/h2-8,19H,9H2,1H3.
What are the key properties of N-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
N-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide has a molecular weight of 346.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 67866413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).