3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide

C11H11ClN4O2S — CID 114380364

IUPAC3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C11H11ClN4O2S/c1-7-9(13)5-8(12)6-10(7)19(17,18)16-11-3-2-4-14-15-11/h2-6H,13H2,1H3,(H,15,16)
InChIKeyDKLMOWCVDAORTP-UHFFFAOYSA-N
MW298.75 g/mol
LogP1.82
Rot. Bonds3

About 3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide

3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 114380364) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.75 g/mol. Its IUPAC name is 3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID114380364
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.75 g/mol
Exact Mass298.03
IUPAC Name3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C11H11ClN4O2S/c1-7-9(13)5-8(12)6-10(7)19(17,18)16-11-3-2-4-14-15-11/h2-6H,13H2,1H3,(H,15,16)
InChIKeyDKLMOWCVDAORTP-UHFFFAOYSA-N
XLogP1.82
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116786202
3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 114379006
3-amino-5-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 114378522
3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 114379018
3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596287
4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide
CID 116787332
5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 59436556
3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 114379607
methyl 3-amino-4-(pyridazin-3-ylsulfamoyl)benzoate
CID 116786194
3-amino-5-chloro-N-(4-fluoro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 114379533
3-amino-N-(5-bromo-2-methylphenyl)-5-chloro-2-methylbenzenesulfonamide
CID 114379014
5-bromo-2-(methylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787819

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide (CID 114380364) is 3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)Nc1cccnn1.
What is the InChIKey of 3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is DKLMOWCVDAORTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c1-7-9(13)5-8(12)6-10(7)19(17,18)16-11-3-2-4-14-15-11/h2-6H,13H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide?
3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 298.75 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 114380364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).