N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

C14H11F6N3O3S — CID 42226776

IUPACN-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=c1cccnn1CCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H11F6N3O3S/c15-13(16,17)9-6-10(14(18,19)20)8-11(7-9)27(25,26)22-4-5-23-12(24)2-1-3-21-23/h1-3,6-8,22H,4-5H2
InChIKeyYVOOWMXOPRPVFT-UHFFFAOYSA-N
MW415.32 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 42226776) has the molecular formula C14H11F6N3O3S and a molecular weight of 415.32 g/mol. Its IUPAC name is N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID42226776
Molecular FormulaC14H11F6N3O3S
Molecular Weight415.32 g/mol
Exact Mass415.04
IUPAC NameN-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=c1cccnn1CCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H11F6N3O3S/c15-13(16,17)9-6-10(14(18,19)20)8-11(7-9)27(25,26)22-4-5-23-12(24)2-1-3-21-23/h1-3,6-8,22H,4-5H2
InChIKeyYVOOWMXOPRPVFT-UHFFFAOYSA-N
XLogP2.26
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[3-(6-oxopyridazin-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30948673
2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226761
N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2804037
4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
CID 30948657
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747
2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226764
2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3691784
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 90516486
3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 45496984
2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 42226805
3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588752

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 42226776) is N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is O=c1cccnn1CCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is YVOOWMXOPRPVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N3O3S/c15-13(16,17)9-6-10(14(18,19)20)8-11(7-9)27(25,26)22-4-5-23-12(24)2-1-3-21-23/h1-3,6-8,22H,4-5H2.
What are the key properties of N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 415.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 42226776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).