4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide

C18H15Cl2N3O4S — CID 60534205

IUPAC4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1
InChIInChI=1S/C18H15Cl2N3O4S/c1-2-27-14-5-3-4-12(10-14)22-28(25,26)15-8-6-13(7-9-15)23-18(24)17(20)16(19)11-21-23/h3-11,22H,2H2,1H3
InChIKeyLSYPFPBCPGMNJN-UHFFFAOYSA-N
MW440.31 g/mol
LogP3.74
Rot. Bonds6

About 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide

4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide (PubChem CID 60534205) has the molecular formula C18H15Cl2N3O4S and a molecular weight of 440.31 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide
PubChem CID60534205
Molecular FormulaC18H15Cl2N3O4S
Molecular Weight440.31 g/mol
Exact Mass439.02
IUPAC Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1
InChIInChI=1S/C18H15Cl2N3O4S/c1-2-27-14-5-3-4-12(10-14)22-28(25,26)15-8-6-13(7-9-15)23-18(24)17(20)16(19)11-21-23/h3-11,22H,2H2,1H3
InChIKeyLSYPFPBCPGMNJN-UHFFFAOYSA-N
XLogP3.74
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-nitrophenyl)benzenesulfonamide
CID 31672101
ethyl N-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]carbamate
CID 31689260
methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate
CID 55567750
2-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-3-methylbenzoic acid
CID 43069586
N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
CID 24662160
ethyl 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]butanoate
CID 43053510
3-chloro-N-(3-ethoxyphenyl)-4-methyl-5-nitrobenzenesulfonamide
CID 60534366
N-(3-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100719368
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 55559930
methyl (2S)-2-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-3-methylbutanoate
CID 55938589
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide (CID 60534205) is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide is CCOc1cccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide?
The InChIKey is LSYPFPBCPGMNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O4S/c1-2-27-14-5-3-4-12(10-14)22-28(25,26)15-8-6-13(7-9-15)23-18(24)17(20)16(19)11-21-23/h3-11,22H,2H2,1H3.
What are the key properties of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide?
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide has a molecular weight of 440.31 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 60534205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).