N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide

C19H23N3O3S — CID 18567835

IUPACN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NC(=O)C3CCCCC3)cc2)nn1
InChIInChI=1S/C19H23N3O3S/c1-2-26(24,25)18-13-12-17(21-22-18)14-8-10-16(11-9-14)20-19(23)15-6-4-3-5-7-15/h8-13,15H,2-7H2,1H3,(H,20,23)
InChIKeyBXAAQVAGCAZCMY-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.46
Rot. Bonds5

About N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide

N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide (PubChem CID 18567835) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide
PubChem CID18567835
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NC(=O)C3CCCCC3)cc2)nn1
InChIInChI=1S/C19H23N3O3S/c1-2-26(24,25)18-13-12-17(21-22-18)14-8-10-16(11-9-14)20-19(23)15-6-4-3-5-7-15/h8-13,15H,2-7H2,1H3,(H,20,23)
InChIKeyBXAAQVAGCAZCMY-UHFFFAOYSA-N
XLogP3.46
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide
CID 41213174
3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide
CID 18567874
2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 41213122
2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 20930344
4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 41159990
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
[4-(cyclohexanecarbonylamino)phenyl] ethanesulfonate
CID 127045881
N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 18588488
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide (CID 18567835) is N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide is CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)C3CCCCC3)cc2)nn1.
What is the InChIKey of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is BXAAQVAGCAZCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-26(24,25)18-13-12-17(21-22-18)14-8-10-16(11-9-14)20-19(23)15-6-4-3-5-7-15/h8-13,15H,2-7H2,1H3,(H,20,23).
What are the key properties of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide?
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 18567835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).