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

C18H24N4O2S — CID 113039144

IUPACN-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NC3CCCCC3)nn2)cc1
InChIInChI=1S/C18H24N4O2S/c1-2-14-8-10-16(11-9-14)25(23,24)22-18-13-12-17(20-21-18)19-15-6-4-3-5-7-15/h8-13,15H,2-7H2,1H3,(H,19,20)(H,21,22)
InChIKeyYREMDGHUYMJXDF-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.58
Rot. Bonds6

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

N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide (PubChem CID 113039144) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
PubChem CID113039144
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NC3CCCCC3)nn2)cc1
InChIInChI=1S/C18H24N4O2S/c1-2-14-8-10-16(11-9-14)25(23,24)22-18-13-12-17(20-21-18)19-15-6-4-3-5-7-15/h8-13,15H,2-7H2,1H3,(H,19,20)(H,21,22)
InChIKeyYREMDGHUYMJXDF-UHFFFAOYSA-N
XLogP3.58
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113039174
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16941993
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941956
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942064
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113038166
N-[6-(cycloheptylamino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 113044438
4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037996
N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038121
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113039171
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide
CID 16942206

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide (CID 113039144) is N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(NC3CCCCC3)nn2)cc1.
What is the InChIKey of N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide?
The InChIKey is YREMDGHUYMJXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-2-14-8-10-16(11-9-14)25(23,24)22-18-13-12-17(20-21-18)19-15-6-4-3-5-7-15/h8-13,15H,2-7H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide?
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 113039144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).