N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide

C16H9Cl3FN3O3S — CID 24662160

IUPACN-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H9Cl3FN3O3S/c17-9-1-6-14(13(20)7-9)22-27(25,26)11-4-2-10(3-5-11)23-16(24)15(19)12(18)8-21-23/h1-8,22H
InChIKeyQUFNLDCPFDRXDM-UHFFFAOYSA-N
MW448.69 g/mol
LogP4.13
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide

N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide (PubChem CID 24662160) has the molecular formula C16H9Cl3FN3O3S and a molecular weight of 448.69 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
PubChem CID24662160
Molecular FormulaC16H9Cl3FN3O3S
Molecular Weight448.69 g/mol
Exact Mass446.94
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H9Cl3FN3O3S/c17-9-1-6-14(13(20)7-9)22-27(25,26)11-4-2-10(3-5-11)23-16(24)15(19)12(18)8-21-23/h1-8,22H
InChIKeyQUFNLDCPFDRXDM-UHFFFAOYSA-N
XLogP4.13
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.69
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 24662760
3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide
CID 24662736
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-nitrophenyl)benzenesulfonamide
CID 31672101
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide
CID 60534205
2-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-3-methylbenzoic acid
CID 43069586
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109
ethyl N-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]carbamate
CID 31689260
4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one
CID 31534078
methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate
CID 55567750
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 55559930
2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511161

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide (CID 24662160) is N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide is O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide?
The InChIKey is QUFNLDCPFDRXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3FN3O3S/c17-9-1-6-14(13(20)7-9)22-27(25,26)11-4-2-10(3-5-11)23-16(24)15(19)12(18)8-21-23/h1-8,22H.
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide?
N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide has a molecular weight of 448.69 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 24662160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).