6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide

C11H17ClN4O3S — CID 61053648

IUPAC6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide
SMILESCCN(CCCNC(=O)c1ccc(Cl)nn1)S(C)(=O)=O
InChIInChI=1S/C11H17ClN4O3S/c1-3-16(20(2,18)19)8-4-7-13-11(17)9-5-6-10(12)15-14-9/h5-6H,3-4,7-8H2,1-2H3,(H,13,17)
InChIKeyVVWFFMRNCFUSSU-UHFFFAOYSA-N
MW320.80 g/mol
LogP0.53
Rot. Bonds7

About 6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide

6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide (PubChem CID 61053648) has the molecular formula C11H17ClN4O3S and a molecular weight of 320.80 g/mol. Its IUPAC name is 6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide
PubChem CID61053648
Molecular FormulaC11H17ClN4O3S
Molecular Weight320.80 g/mol
Exact Mass320.07
IUPAC Name6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide
SMILESCCN(CCCNC(=O)c1ccc(Cl)nn1)S(C)(=O)=O
InChIInChI=1S/C11H17ClN4O3S/c1-3-16(20(2,18)19)8-4-7-13-11(17)9-5-6-10(12)15-14-9/h5-6H,3-4,7-8H2,1-2H3,(H,13,17)
InChIKeyVVWFFMRNCFUSSU-UHFFFAOYSA-N
XLogP0.53
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 60859027
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridazine-3-carboxamide
CID 114175119
6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide
CID 55101967
3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide
CID 66484906
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535
4-bromo-3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 80974274
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 60552295
1-(3-chlorophenyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-methyltriazole-4-carboxamide
CID 55955481
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide
CID 48679346
5-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-nitrobenzamide
CID 60526996

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide (CID 61053648) is 6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide is CCN(CCCNC(=O)c1ccc(Cl)nn1)S(C)(=O)=O.
What is the InChIKey of 6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide?
The InChIKey is VVWFFMRNCFUSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O3S/c1-3-16(20(2,18)19)8-4-7-13-11(17)9-5-6-10(12)15-14-9/h5-6H,3-4,7-8H2,1-2H3,(H,13,17).
What are the key properties of 6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide?
6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide has a molecular weight of 320.80 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 61053648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).