5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide

C15H17ClN4O4S — CID 113039759

IUPAC5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C15H17ClN4O4S/c1-23-12-3-2-11(16)10-13(12)25(21,22)19-14-4-5-15(18-17-14)20-6-8-24-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,19)
InChIKeyRLECXJPPKXAYHH-UHFFFAOYSA-N
MW384.85 g/mol
LogP1.78
Rot. Bonds5

About 5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide

5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide (PubChem CID 113039759) has the molecular formula C15H17ClN4O4S and a molecular weight of 384.85 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
PubChem CID113039759
Molecular FormulaC15H17ClN4O4S
Molecular Weight384.85 g/mol
Exact Mass384.07
IUPAC Name5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C15H17ClN4O4S/c1-23-12-3-2-11(16)10-13(12)25(21,22)19-14-4-5-15(18-17-14)20-6-8-24-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,19)
InChIKeyRLECXJPPKXAYHH-UHFFFAOYSA-N
XLogP1.78
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039734
2,4-dimethoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039736
2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039038
5-chloro-2-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122355237
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292427
5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113009843
N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide
CID 113045402
5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044623
5-chloro-2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113039632
5-chloro-2-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30295138
N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 2999131

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide (CID 113039759) is 5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCOCC2)nn1.
What is the InChIKey of 5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide?
The InChIKey is RLECXJPPKXAYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O4S/c1-23-12-3-2-11(16)10-13(12)25(21,22)19-14-4-5-15(18-17-14)20-6-8-24-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,19).
What are the key properties of 5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide has a molecular weight of 384.85 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 113039759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).