3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide

C17H12Cl2N4O4S — CID 24662736

IUPAC3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide
SMILESNC(=O)c1cccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1
InChIInChI=1S/C17H12Cl2N4O4S/c18-14-9-21-23(17(25)15(14)19)12-4-6-13(7-5-12)28(26,27)22-11-3-1-2-10(8-11)16(20)24/h1-9,22H,(H2,20,24)
InChIKeyGBRDTFBONFVOAY-UHFFFAOYSA-N
MW439.28 g/mol
LogP2.44
Rot. Bonds5

About 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide

3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide (PubChem CID 24662736) has the molecular formula C17H12Cl2N4O4S and a molecular weight of 439.28 g/mol. Its IUPAC name is 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide
PubChem CID24662736
Molecular FormulaC17H12Cl2N4O4S
Molecular Weight439.28 g/mol
Exact Mass438.00
IUPAC Name3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide
SMILESNC(=O)c1cccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1
InChIInChI=1S/C17H12Cl2N4O4S/c18-14-9-21-23(17(25)15(14)19)12-4-6-13(7-5-12)28(26,27)22-11-3-1-2-10(8-11)16(20)24/h1-9,22H,(H2,20,24)
InChIKeyGBRDTFBONFVOAY-UHFFFAOYSA-N
XLogP2.44
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate
CID 55567750
3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 61053533
N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
CID 24662160
4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide
CID 55891962
ethyl N-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]carbamate
CID 31689260
6-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 24662760
3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 18084674
4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride
CID 18983164
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide?
The IUPAC name of 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide (CID 24662736) is 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide is NC(=O)c1cccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1.
What is the InChIKey of 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide?
The InChIKey is GBRDTFBONFVOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O4S/c18-14-9-21-23(17(25)15(14)19)12-4-6-13(7-5-12)28(26,27)22-11-3-1-2-10(8-11)16(20)24/h1-9,22H,(H2,20,24).
What are the key properties of 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide?
3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide has a molecular weight of 439.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 24662736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).