N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide

C18H24N4O4S — CID 113045402

IUPACN-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)nn2)cc1OC
InChIInChI=1S/C18H24N4O4S/c1-25-15-8-7-14(13-16(15)26-2)27(23,24)21-17-9-10-18(20-19-17)22-11-5-3-4-6-12-22/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,21)
InChIKeyCUOUPWWXKGIEKM-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.67
Rot. Bonds6

About N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide

N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 113045402) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide
PubChem CID113045402
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)nn2)cc1OC
InChIInChI=1S/C18H24N4O4S/c1-25-15-8-7-14(13-16(15)26-2)27(23,24)21-17-9-10-18(20-19-17)22-11-5-3-4-6-12-22/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,21)
InChIKeyCUOUPWWXKGIEKM-UHFFFAOYSA-N
XLogP2.67
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113040299
2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039038
N-[6-(azepan-1-yl)pyridazin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113045406
4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038808
N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113045419
3,4-dimethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 16810402
3-(dimethylsulfamoylamino)-6-piperidin-1-ylpyridazine
CID 113039016
2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039734
4-cyclopentyloxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038800
5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039759
2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039736
2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039063

Frequently Asked Questions

What is the IUPAC name of N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide (CID 113045402) is N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)nn2)cc1OC.
What is the InChIKey of N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is CUOUPWWXKGIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-25-15-8-7-14(13-16(15)26-2)27(23,24)21-17-9-10-18(20-19-17)22-11-5-3-4-6-12-22/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide?
N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 113045402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).