3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide

C12H12ClN3O3S — CID 75458372

IUPAC3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccnnc2C)cc1Cl
InChIInChI=1S/C12H12ClN3O3S/c1-8-11(5-6-14-15-8)16-20(17,18)9-3-4-12(19-2)10(13)7-9/h3-7H,1-2H3,(H,14,16)
InChIKeyXZHLCCPWOLBREQ-UHFFFAOYSA-N
MW313.77 g/mol
LogP2.25
Rot. Bonds4

About 3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide

3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide (PubChem CID 75458372) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide
PubChem CID75458372
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccnnc2C)cc1Cl
InChIInChI=1S/C12H12ClN3O3S/c1-8-11(5-6-14-15-8)16-20(17,18)9-3-4-12(19-2)10(13)7-9/h3-7H,1-2H3,(H,14,16)
InChIKeyXZHLCCPWOLBREQ-UHFFFAOYSA-N
XLogP2.25
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163351568
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691520
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508
3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
CID 116798836
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122356165
N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide
CID 113044338

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide (CID 75458372) is 3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccnnc2C)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide?
The InChIKey is XZHLCCPWOLBREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-8-11(5-6-14-15-8)16-20(17,18)9-3-4-12(19-2)10(13)7-9/h3-7H,1-2H3,(H,14,16).
What are the key properties of 3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide?
3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide has a molecular weight of 313.77 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide is sourced from PubChem (CID 75458372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).