2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide

C13H10ClF3N2O3S2 — CID 574156

IUPAC2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide
SMILESCS(=O)(=NS(=O)(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H10ClF3N2O3S2/c1-23(20,12-7-6-9(8-18-12)13(15,16)17)19-24(21,22)11-5-3-2-4-10(11)14/h2-8H,1H3
InChIKeyGHONLDOSEPUMJC-UHFFFAOYSA-N
MW398.82 g/mol
LogP3.60
Rot. Bonds3

About 2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide

2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide (PubChem CID 574156) has the molecular formula C13H10ClF3N2O3S2 and a molecular weight of 398.82 g/mol. Its IUPAC name is 2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide
PubChem CID574156
Molecular FormulaC13H10ClF3N2O3S2
Molecular Weight398.82 g/mol
Exact Mass397.98
IUPAC Name2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide
SMILESCS(=O)(=NS(=O)(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H10ClF3N2O3S2/c1-23(20,12-7-6-9(8-18-12)13(15,16)17)19-24(21,22)11-5-3-2-4-10(11)14/h2-8H,1H3
InChIKeyGHONLDOSEPUMJC-UHFFFAOYSA-N
XLogP3.60
TPSA76.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide (CID 574156) is 2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide is CS(=O)(=NS(=O)(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide?
The InChIKey is GHONLDOSEPUMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O3S2/c1-23(20,12-7-6-9(8-18-12)13(15,16)17)19-24(21,22)11-5-3-2-4-10(11)14/h2-8H,1H3.
What are the key properties of 2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide?
2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide has a molecular weight of 398.82 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 574156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).