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

C16H21ClN4O3S — CID 113044623

IUPAC5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NCCC(C)C)nn1
InChIInChI=1S/C16H21ClN4O3S/c1-11(2)8-9-18-15-6-7-16(20-19-15)21-25(22,23)14-10-12(17)4-5-13(14)24-3/h4-7,10-11H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyJOYDJLGWNRQUNU-UHFFFAOYSA-N
MW384.89 g/mol
LogP3.40
Rot. Bonds8

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

5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113044623) has the molecular formula C16H21ClN4O3S and a molecular weight of 384.89 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113044623
Molecular FormulaC16H21ClN4O3S
Molecular Weight384.89 g/mol
Exact Mass384.10
IUPAC Name5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NCCC(C)C)nn1
InChIInChI=1S/C16H21ClN4O3S/c1-11(2)8-9-18-15-6-7-16(20-19-15)21-25(22,23)14-10-12(17)4-5-13(14)24-3/h4-7,10-11H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyJOYDJLGWNRQUNU-UHFFFAOYSA-N
XLogP3.40
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113039632
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044587
5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039759
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125202
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710742
CID 70601990
CID 70601990
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide
CID 113039614

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide (CID 113044623) is 5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NCCC(C)C)nn1.
What is the InChIKey of 5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is JOYDJLGWNRQUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3S/c1-11(2)8-9-18-15-6-7-16(20-19-15)21-25(22,23)14-10-12(17)4-5-13(14)24-3/h4-7,10-11H,8-9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide?
5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 384.89 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113044623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).