N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide

C14H14F3N3O2S — CID 86800776

IUPACN-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)c1ncccc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3O2S/c1-20(2)13-11(7-5-9-18-13)19-23(21,22)12-8-4-3-6-10(12)14(15,16)17/h3-9,19H,1-2H3
InChIKeyLUJSNWQBSNNUIL-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.97
Rot. Bonds4

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

N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 86800776) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID86800776
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)c1ncccc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3O2S/c1-20(2)13-11(7-5-9-18-13)19-23(21,22)12-8-4-3-6-10(12)14(15,16)17/h3-9,19H,1-2H3
InChIKeyLUJSNWQBSNNUIL-UHFFFAOYSA-N
XLogP2.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide (CID 86800776) is N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide is CN(C)c1ncccc1NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LUJSNWQBSNNUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-20(2)13-11(7-5-9-18-13)19-23(21,22)12-8-4-3-6-10(12)14(15,16)17/h3-9,19H,1-2H3.
What are the key properties of N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 345.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 86800776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).