N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide

C15H18N4O3S — CID 113038166

IUPACN-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NC3CC3)nn2)cc1
InChIInChI=1S/C15H18N4O3S/c1-2-22-12-5-7-13(8-6-12)23(20,21)19-15-10-9-14(17-18-15)16-11-3-4-11/h5-11H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyYTTQSAFXZSCAAR-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.25
Rot. Bonds7

About N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide

N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide (PubChem CID 113038166) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
PubChem CID113038166
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NC3CC3)nn2)cc1
InChIInChI=1S/C15H18N4O3S/c1-2-22-12-5-7-13(8-6-12)23(20,21)19-15-10-9-14(17-18-15)16-11-3-4-11/h5-11H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyYTTQSAFXZSCAAR-UHFFFAOYSA-N
XLogP2.25
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113039174
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941956
N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113024551
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113039144
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16941993
N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038121
4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038808
4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044745
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113046481
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113040198
N-[6-(cycloheptylamino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 113044438
N-[6-(cyclopropylamino)pyridazin-3-yl]methanesulfonamide
CID 113038116

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide (CID 113038166) is N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(NC3CC3)nn2)cc1.
What is the InChIKey of N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
The InChIKey is YTTQSAFXZSCAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-2-22-12-5-7-13(8-6-12)23(20,21)19-15-10-9-14(17-18-15)16-11-3-4-11/h5-11H,2-4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 113038166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).