N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide

C18H24N4O3S — CID 16941956

IUPACN-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC3CCCCCC3)nn2)cc1
InChIInChI=1S/C18H24N4O3S/c1-25-15-8-10-16(11-9-15)26(23,24)22-18-13-12-17(20-21-18)19-14-6-4-2-3-5-7-14/h8-14H,2-7H2,1H3,(H,19,20)(H,21,22)
InChIKeyOCFBBOWREBZYRC-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.42
Rot. Bonds6

About N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide

N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide (PubChem CID 16941956) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
PubChem CID16941956
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC3CCCCCC3)nn2)cc1
InChIInChI=1S/C18H24N4O3S/c1-25-15-8-10-16(11-9-15)26(23,24)22-18-13-12-17(20-21-18)19-14-6-4-2-3-5-7-14/h8-14H,2-7H2,1H3,(H,19,20)(H,21,22)
InChIKeyOCFBBOWREBZYRC-UHFFFAOYSA-N
XLogP3.42
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6-Methoxypyridazin-3-yl)amino]benzenesulfonamide
CID 57011620
3-(4-((4-Butoxyphenyl)sulfonyl)piperazin-1-yl)-6-(4-ethylpiperazin-1-yl)pyridazine
CID 18575356
N-(3-(6-(azepan-1-yl)pyridazin-3-yl)phenyl)-4-ethoxybenzenesulfonamide
CID 22576116
N-{3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl}-4-methoxybenzene-1-sulfonamide
CID 16029129
N-(3-(6-(azepan-1-yl)pyridazin-3-yl)phenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 16029131
3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-[(2S)-2-methylpiperidin-1-yl]pyridazine
CID 137647376
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-[(2S)-2-methylpiperidin-1-yl]pyridazine
CID 137655967
N-(2-((6-methylpyridazin-3-yl)amino)ethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 45502530
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzenesulfonamide
CID 6416427
6-(4-((3,4-dimethoxyphenyl)sulfonyl)piperazin-1-yl)-N,N-diethylpyridazin-3-amine
CID 18584510
3-Methyl-6-(4-((4-(trifluoromethoxy)phenyl)sulfonyl)piperazin-1-yl)pyridazine
CID 44118043
N-[[4-[[6-(4-fluorophenoxy)pyridazin-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 59230426

Frequently Asked Questions

What is the IUPAC name of N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide (CID 16941956) is N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NC3CCCCCC3)nn2)cc1.
What is the InChIKey of N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide?
The InChIKey is OCFBBOWREBZYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-25-15-8-10-16(11-9-15)26(23,24)22-18-13-12-17(20-21-18)19-14-6-4-2-3-5-7-14/h8-14H,2-7H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide?
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 16941956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).