2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide

C12H17N3O3S — CID 167993117

IUPAC2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide
SMILESCC1CCCCC1C(=O)NS(=O)(=O)c1cccnn1
InChIInChI=1S/C12H17N3O3S/c1-9-5-2-3-6-10(9)12(16)15-19(17,18)11-7-4-8-13-14-11/h4,7-10H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyXUAWLEFXKPLTOL-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.11
Rot. Bonds3

About 2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide

2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide (PubChem CID 167993117) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide
PubChem CID167993117
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide
SMILESCC1CCCCC1C(=O)NS(=O)(=O)c1cccnn1
InChIInChI=1S/C12H17N3O3S/c1-9-5-2-3-6-10(9)12(16)15-19(17,18)11-7-4-8-13-14-11/h4,7-10H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyXUAWLEFXKPLTOL-UHFFFAOYSA-N
XLogP1.11
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 107175917
N-pyridin-2-ylsulfonylcyclopropanecarboxamide
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3-(4-methylpiperidin-1-yl)sulfonylpyridazine
CID 170387335
2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 103308898
N-(2-methylcyclohexyl)pyridazin-3-amine
CID 62481216
(1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide
CID 154846144
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
N-[(2-methylcyclohexyl)methyl]pyridazin-3-amine
CID 62482636
(2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone
CID 107186922
N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 103578301
N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812
N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide
CID 94027180

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide?
The IUPAC name of 2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide (CID 167993117) is 2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide?
The canonical SMILES for 2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide is CC1CCCCC1C(=O)NS(=O)(=O)c1cccnn1.
What is the InChIKey of 2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide?
The InChIKey is XUAWLEFXKPLTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9-5-2-3-6-10(9)12(16)15-19(17,18)11-7-4-8-13-14-11/h4,7-10H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide?
2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide is sourced from PubChem (CID 167993117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).