2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C18H11ClF3N3O3S — CID 69184077

IUPAC2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(F)(F)F)c1-c1cc(Cl)cnc1C(=O)c1ccccn1
InChIInChI=1S/C18H11ClF3N3O3S/c19-10-8-11(16(25-9-10)17(26)13-5-1-2-7-24-13)15-12(18(20,21)22)4-3-6-14(15)29(23,27)28/h1-9H,(H2,23,27,28)
InChIKeyLVQBHOKUTKITBK-UHFFFAOYSA-N
MW441.82 g/mol
LogP3.69
Rot. Bonds4

About 2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 69184077) has the molecular formula C18H11ClF3N3O3S and a molecular weight of 441.82 g/mol. Its IUPAC name is 2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID69184077
Molecular FormulaC18H11ClF3N3O3S
Molecular Weight441.82 g/mol
Exact Mass441.02
IUPAC Name2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(F)(F)F)c1-c1cc(Cl)cnc1C(=O)c1ccccn1
InChIInChI=1S/C18H11ClF3N3O3S/c19-10-8-11(16(25-9-10)17(26)13-5-1-2-7-24-13)15-12(18(20,21)22)4-3-6-14(15)29(23,27)28/h1-9H,(H2,23,27,28)
InChIKeyLVQBHOKUTKITBK-UHFFFAOYSA-N
XLogP3.69
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 69184077) is 2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1cccc(C(F)(F)F)c1-c1cc(Cl)cnc1C(=O)c1ccccn1.
What is the InChIKey of 2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LVQBHOKUTKITBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O3S/c19-10-8-11(16(25-9-10)17(26)13-5-1-2-7-24-13)15-12(18(20,21)22)4-3-6-14(15)29(23,27)28/h1-9H,(H2,23,27,28).
What are the key properties of 2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 441.82 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(pyridine-2-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 69184077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).