N-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide

C14H14F3N3O2S — CID 71861556

IUPACN-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CNc2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C14H14F3N3O2S/c1-18-23(21,22)12-4-2-3-10(7-12)9-20-13-8-11(5-6-19-13)14(15,16)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyLNEOWXUHYRNRBF-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.62
Rot. Bonds5

About N-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide

N-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide (PubChem CID 71861556) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide
PubChem CID71861556
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CNc2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C14H14F3N3O2S/c1-18-23(21,22)12-4-2-3-10(7-12)9-20-13-8-11(5-6-19-13)14(15,16)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyLNEOWXUHYRNRBF-UHFFFAOYSA-N
XLogP2.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide (CID 71861556) is N-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide is CNS(=O)(=O)c1cccc(CNc2cc(C(F)(F)F)ccn2)c1.
What is the InChIKey of N-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide?
The InChIKey is LNEOWXUHYRNRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-18-23(21,22)12-4-2-3-10(7-12)9-20-13-8-11(5-6-19-13)14(15,16)17/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of N-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide?
N-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide has a molecular weight of 345.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 71861556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).