4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide

C17H16Cl2F3N3O3S — CID 55560052

IUPAC4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H16Cl2F3N3O3S/c18-14-9-23-25(16(26)15(14)19)12-4-6-13(7-5-12)29(27,28)24-11-3-1-2-10(8-11)17(20,21)22/h4-7,9-11,24H,1-3,8H2
InChIKeyRWDMKRWDOHUNGA-UHFFFAOYSA-N
MW470.30 g/mol
LogP3.94
Rot. Bonds4

About 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide

4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 55560052) has the molecular formula C17H16Cl2F3N3O3S and a molecular weight of 470.30 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
PubChem CID55560052
Molecular FormulaC17H16Cl2F3N3O3S
Molecular Weight470.30 g/mol
Exact Mass469.02
IUPAC Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H16Cl2F3N3O3S/c18-14-9-23-25(16(26)15(14)19)12-4-6-13(7-5-12)29(27,28)24-11-3-1-2-10(8-11)17(20,21)22/h4-7,9-11,24H,1-3,8H2
InChIKeyRWDMKRWDOHUNGA-UHFFFAOYSA-N
XLogP3.94
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide (CID 55560052) is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide is O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)cc1.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is RWDMKRWDOHUNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F3N3O3S/c18-14-9-23-25(16(26)15(14)19)12-4-6-13(7-5-12)29(27,28)24-11-3-1-2-10(8-11)17(20,21)22/h4-7,9-11,24H,1-3,8H2.
What are the key properties of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 470.30 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 55560052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).