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

C18H24N4O3S — CID 113039174

IUPACN-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NC3CCCCC3)nn2)cc1
InChIInChI=1S/C18H24N4O3S/c1-2-25-15-8-10-16(11-9-15)26(23,24)22-18-13-12-17(20-21-18)19-14-6-4-3-5-7-14/h8-14H,2-7H2,1H3,(H,19,20)(H,21,22)
InChIKeyIEDPVJALYUCTBH-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.42
Rot. Bonds7

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

N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide (PubChem CID 113039174) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
PubChem CID113039174
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NC3CCCCC3)nn2)cc1
InChIInChI=1S/C18H24N4O3S/c1-2-25-15-8-10-16(11-9-15)26(23,24)22-18-13-12-17(20-21-18)19-14-6-4-3-5-7-14/h8-14H,2-7H2,1H3,(H,19,20)(H,21,22)
InChIKeyIEDPVJALYUCTBH-UHFFFAOYSA-N
XLogP3.42
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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

N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113038166
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941956
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113039144
N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113024551
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16941993
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942064
4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038808
N-[6-(cycloheptylamino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 113044438
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-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038121
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113040198

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide (CID 113039174) is N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(NC3CCCCC3)nn2)cc1.
What is the InChIKey of N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
The InChIKey is IEDPVJALYUCTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-2-25-15-8-10-16(11-9-15)26(23,24)22-18-13-12-17(20-21-18)19-14-6-4-3-5-7-14/h8-14H,2-7H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide?
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 113039174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).