N-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide

C13H10ClF3N2O4S — CID 167905817

IUPACN-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(Cl)ncc1NS(=O)(=O)c1c(O)cccc1OC(F)(F)F
InChIInChI=1S/C13H10ClF3N2O4S/c1-7-5-11(14)18-6-8(7)19-24(21,22)12-9(20)3-2-4-10(12)23-13(15,16)17/h2-6,19-20H,1H3
InChIKeyBZCFKTIXSUKLJY-UHFFFAOYSA-N
MW382.75 g/mol
LogP3.45
Rot. Bonds4

About N-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide

N-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide (PubChem CID 167905817) has the molecular formula C13H10ClF3N2O4S and a molecular weight of 382.75 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide
PubChem CID167905817
Molecular FormulaC13H10ClF3N2O4S
Molecular Weight382.75 g/mol
Exact Mass382.00
IUPAC NameN-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(Cl)ncc1NS(=O)(=O)c1c(O)cccc1OC(F)(F)F
InChIInChI=1S/C13H10ClF3N2O4S/c1-7-5-11(14)18-6-8(7)19-24(21,22)12-9(20)3-2-4-10(12)23-13(15,16)17/h2-6,19-20H,1H3
InChIKeyBZCFKTIXSUKLJY-UHFFFAOYSA-N
XLogP3.45
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.75
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide (CID 167905817) is N-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide is Cc1cc(Cl)ncc1NS(=O)(=O)c1c(O)cccc1OC(F)(F)F.
What is the InChIKey of N-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is BZCFKTIXSUKLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O4S/c1-7-5-11(14)18-6-8(7)19-24(21,22)12-9(20)3-2-4-10(12)23-13(15,16)17/h2-6,19-20H,1H3.
What are the key properties of N-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide?
N-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 382.75 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-3-pyridinyl)-2-hydroxy-6-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 167905817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).