2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide

C10H15N3O3S — CID 104709977

IUPAC2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C10H15N3O3S/c1-13-10(6-7-11-13)17(15,16)12-8-2-4-9(14)5-3-8/h6-8,12H,2-5H2,1H3
InChIKeyMZUGGHPPIWSNCX-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.21
Rot. Bonds3

About 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide

2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide (PubChem CID 104709977) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide
PubChem CID104709977
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C10H15N3O3S/c1-13-10(6-7-11-13)17(15,16)12-8-2-4-9(14)5-3-8/h6-8,12H,2-5H2,1H3
InChIKeyMZUGGHPPIWSNCX-UHFFFAOYSA-N
XLogP0.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide (CID 104709977) is 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NC1CCC(=O)CC1.
What is the InChIKey of 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide?
The InChIKey is MZUGGHPPIWSNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-13-10(6-7-11-13)17(15,16)12-8-2-4-9(14)5-3-8/h6-8,12H,2-5H2,1H3.
What are the key properties of 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide?
2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide has a molecular weight of 257.31 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 104709977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).