methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate

C19H13Cl2N5O5S — CID 55567750

IUPACmethyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(NS(=O)(=O)c3ccc(-n4ncc(Cl)c(Cl)c4=O)cc3)cc12
InChIInChI=1S/C19H13Cl2N5O5S/c1-31-19(28)17-13-8-10(2-7-15(13)23-24-17)25-32(29,30)12-5-3-11(4-6-12)26-18(27)16(21)14(20)9-22-26/h2-9,25H,1H3,(H,23,24)
InChIKeyXMAFOMZCEGIZQP-UHFFFAOYSA-N
MW494.32 g/mol
LogP3.00
Rot. Bonds5

About methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate

methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate (PubChem CID 55567750) has the molecular formula C19H13Cl2N5O5S and a molecular weight of 494.32 g/mol. Its IUPAC name is methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate
PubChem CID55567750
Molecular FormulaC19H13Cl2N5O5S
Molecular Weight494.32 g/mol
Exact Mass493.00
IUPAC Namemethyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(NS(=O)(=O)c3ccc(-n4ncc(Cl)c(Cl)c4=O)cc3)cc12
InChIInChI=1S/C19H13Cl2N5O5S/c1-31-19(28)17-13-8-10(2-7-15(13)23-24-17)25-32(29,30)12-5-3-11(4-6-12)26-18(27)16(21)14(20)9-22-26/h2-9,25H,1H3,(H,23,24)
InChIKeyXMAFOMZCEGIZQP-UHFFFAOYSA-N
XLogP3.00
TPSA136.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide
CID 24662736
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide
CID 60534205
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-nitrophenyl)benzenesulfonamide
CID 31672101
methyl (2S)-2-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-3-methylbutanoate
CID 55938589
ethyl N-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]carbamate
CID 31689260
2-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-3-methylbenzoic acid
CID 43069586
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 55559930
N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
CID 24662160
methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate
CID 46594227
methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate
CID 40687663
methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate
CID 86887480
methyl 5-(1,2,2-tricyanoethenylamino)-1H-indazole-3-carboxylate
CID 168609857

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate?
The IUPAC name of methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate (CID 55567750) is methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate.
What is the SMILES notation for methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate?
The canonical SMILES for methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate is COC(=O)c1n[nH]c2ccc(NS(=O)(=O)c3ccc(-n4ncc(Cl)c(Cl)c4=O)cc3)cc12.
What is the InChIKey of methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate?
The InChIKey is XMAFOMZCEGIZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O5S/c1-31-19(28)17-13-8-10(2-7-15(13)23-24-17)25-32(29,30)12-5-3-11(4-6-12)26-18(27)16(21)14(20)9-22-26/h2-9,25H,1H3,(H,23,24).
What are the key properties of methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate?
methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate has a molecular weight of 494.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate is sourced from PubChem (CID 55567750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).