4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide

C15H20N4O2S — CID 113037996

IUPAC4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)nn2)cc1
InChIInChI=1S/C15H20N4O2S/c1-4-12-5-7-13(8-6-12)22(20,21)19-15-10-9-14(17-18-15)16-11(2)3/h5-11H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFTPCYSXFLORHDR-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.66
Rot. Bonds6

About 4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide

4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113037996) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113037996
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)nn2)cc1
InChIInChI=1S/C15H20N4O2S/c1-4-12-5-7-13(8-6-12)22(20,21)19-15-10-9-14(17-18-15)16-11(2)3/h5-11H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFTPCYSXFLORHDR-UHFFFAOYSA-N
XLogP2.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023639
4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038031
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide
CID 113037989
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113039144
N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide
CID 113037990
5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113038015
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047417
N-[6-(3-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047503
3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038018
N-[6-(butan-2-ylamino)-3-pyridinyl]-4-ethylbenzenesulfonamide
CID 113009794
N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113038643

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide (CID 113037996) is 4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)nn2)cc1.
What is the InChIKey of 4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is FTPCYSXFLORHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-12-5-7-13(8-6-12)22(20,21)19-15-10-9-14(17-18-15)16-11(2)3/h5-11H,4H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113037996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).