N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide

C17H15ClN4O3S — CID 113048006

IUPACN-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NS(=O)(=O)c2ccccc2)nn1
InChIInChI=1S/C17H15ClN4O3S/c1-25-15-8-7-12(18)11-14(15)19-16-9-10-17(21-20-16)22-26(23,24)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20)(H,21,22)
InChIKeyRZKDQMNUFZGWMP-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.68
Rot. Bonds6

About N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide

N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113048006) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113048006
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC NameN-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NS(=O)(=O)c2ccccc2)nn1
InChIInChI=1S/C17H15ClN4O3S/c1-25-15-8-7-12(18)11-14(15)19-16-9-10-17(21-20-16)22-26(23,24)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20)(H,21,22)
InChIKeyRZKDQMNUFZGWMP-UHFFFAOYSA-N
XLogP3.68
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050807
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113048599
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113047413
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109119122
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050545
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113033802
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide
CID 109120619
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050774
4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046629
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046608

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide (CID 113048006) is N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide is COc1ccc(Cl)cc1Nc1ccc(NS(=O)(=O)c2ccccc2)nn1.
What is the InChIKey of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is RZKDQMNUFZGWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-25-15-8-7-12(18)11-14(15)19-16-9-10-17(21-20-16)22-26(23,24)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide?
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 390.85 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113048006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).