4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane

C15H13Cl2F3N2O2S — CID 143610499

IUPAC4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane
SMILESCC.O=Cc1ncc(Cl)cc1NS(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H7Cl2F3N2O2S.C2H6/c14-7-3-11(12(6-21)19-5-7)20-23(22)8-1-2-10(15)9(4-8)13(16,17)18;1-2/h1-6,20H;1-2H3
InChIKeyNFCNXEBNWNUPQO-UHFFFAOYSA-N
MW413.25 g/mol
LogP5.38
Rot. Bonds4

About 4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane

4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane (PubChem CID 143610499) has the molecular formula C15H13Cl2F3N2O2S and a molecular weight of 413.25 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane
PubChem CID143610499
Molecular FormulaC15H13Cl2F3N2O2S
Molecular Weight413.25 g/mol
Exact Mass412.00
IUPAC Name4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane
SMILESCC.O=Cc1ncc(Cl)cc1NS(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H7Cl2F3N2O2S.C2H6/c14-7-3-11(12(6-21)19-5-7)20-23(22)8-1-2-10(15)9(4-8)13(16,17)18;1-2/h1-6,20H;1-2H3
InChIKeyNFCNXEBNWNUPQO-UHFFFAOYSA-N
XLogP5.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.25
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]-2-pyridinyl]thiophene-2-sulfinamide
CID 131968416
4-chloro-N-[5-chloro-2-(2,3-dichloropyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide
CID 143610452
N-[2-(5-bromo-4-propan-2-yl-1,2,4-triazol-3-yl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfinamide
CID 143610152
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
N-[5-chloro-2-(2,4-dimethylpyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfinamide
CID 143262627
1-chloro-4-(4-nitrophenyl)sulfinyl-2-(trifluoromethyl)benzene;ethane
CID 153379650
3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134626315
5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
CID 144606570
4-chloro-N-(5-formyl-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 90105320
4-chloro-N-[5-chloro-2-(pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11591022
4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide
CID 87190669
4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride
CID 89299042

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane?
The IUPAC name of 4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane (CID 143610499) is 4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane?
The canonical SMILES for 4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane is CC.O=Cc1ncc(Cl)cc1NS(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane?
The InChIKey is NFCNXEBNWNUPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3N2O2S.C2H6/c14-7-3-11(12(6-21)19-5-7)20-23(22)8-1-2-10(15)9(4-8)13(16,17)18;1-2/h1-6,20H;1-2H3.
What are the key properties of 4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane?
4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane has a molecular weight of 413.25 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-formyl-3-pyridinyl)-3-(trifluoromethyl)benzenesulfinamide;ethane is sourced from PubChem (CID 143610499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).