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

C19H16ClN5O2S — CID 121037206

IUPAC5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ccc3nnc(C)n3n2)cc1
InChIInChI=1S/C19H16ClN5O2S/c1-12-3-6-15(20)11-18(12)28(26,27)24-16-7-4-14(5-8-16)17-9-10-19-22-21-13(2)25(19)23-17/h3-11,24H,1-2H3
InChIKeyKKRCUMQXEPBAQI-UHFFFAOYSA-N
MW413.89 g/mol
LogP3.86
Rot. Bonds4

About 5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide

5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 121037206) has the molecular formula C19H16ClN5O2S and a molecular weight of 413.89 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID121037206
Molecular FormulaC19H16ClN5O2S
Molecular Weight413.89 g/mol
Exact Mass413.07
IUPAC Name5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ccc3nnc(C)n3n2)cc1
InChIInChI=1S/C19H16ClN5O2S/c1-12-3-6-15(20)11-18(12)28(26,27)24-16-7-4-14(5-8-16)17-9-10-19-22-21-13(2)25(19)23-17/h3-11,24H,1-2H3
InChIKeyKKRCUMQXEPBAQI-UHFFFAOYSA-N
XLogP3.86
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524185
2,4-dimethoxy-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873511
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524184
2,5-dichloro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16829397
2,5-dichloro-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16829378
2,4,5-trimethyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873699
2,4,5-trimethyl-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873659
4-chloro-2,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 121037148
3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873534
3,4-dichloro-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16821339
2,4-dimethyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524117
2,4-difluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16821329

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 121037206) is 5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ccc3nnc(C)n3n2)cc1.
What is the InChIKey of 5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is KKRCUMQXEPBAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2S/c1-12-3-6-15(20)11-18(12)28(26,27)24-16-7-4-14(5-8-16)17-9-10-19-22-21-13(2)25(19)23-17/h3-11,24H,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 413.89 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 121037206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).