3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide

C18H13Cl2N5O2S — CID 16873534

IUPAC3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCc1nnc2ccc(-c3cccc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)c3)nn12
InChIInChI=1S/C18H13Cl2N5O2S/c1-11-21-22-18-8-7-17(23-25(11)18)12-3-2-4-13(9-12)24-28(26,27)14-5-6-15(19)16(20)10-14/h2-10,24H,1H3
InChIKeyOKMANUSQQMEHFO-UHFFFAOYSA-N
MW434.31 g/mol
LogP4.21
Rot. Bonds4

About 3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide

3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 16873534) has the molecular formula C18H13Cl2N5O2S and a molecular weight of 434.31 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID16873534
Molecular FormulaC18H13Cl2N5O2S
Molecular Weight434.31 g/mol
Exact Mass433.02
IUPAC Name3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCc1nnc2ccc(-c3cccc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)c3)nn12
InChIInChI=1S/C18H13Cl2N5O2S/c1-11-21-22-18-8-7-17(23-25(11)18)12-3-2-4-13(9-12)24-28(26,27)14-5-6-15(19)16(20)10-14/h2-10,24H,1H3
InChIKeyOKMANUSQQMEHFO-UHFFFAOYSA-N
XLogP4.21
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16829415
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 16873522
3-chloro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16821350
3,4-dichloro-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16821339
3,4-dichloro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569022
3-chloro-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873794
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524184
2-chloro-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524185
2-chloro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16829407
3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873782
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide
CID 16873759
4-iodo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 43971717

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 16873534) is 3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is Cc1nnc2ccc(-c3cccc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)c3)nn12.
What is the InChIKey of 3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is OKMANUSQQMEHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5O2S/c1-11-21-22-18-8-7-17(23-25(11)18)12-3-2-4-13(9-12)24-28(26,27)14-5-6-15(19)16(20)10-14/h2-10,24H,1H3.
What are the key properties of 3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 434.31 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16873534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).