4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide

C9H14ClN3O3S — CID 106150837

IUPAC4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide
SMILESCC(C)C(=O)CNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C9H14ClN3O3S/c1-6(2)8(14)5-12-17(15,16)9-7(10)4-11-13(9)3/h4,6,12H,5H2,1-3H3
InChIKeyUPPGWCFJQZKILI-UHFFFAOYSA-N
MW279.75 g/mol
LogP0.58
Rot. Bonds5

About 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide

4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide (PubChem CID 106150837) has the molecular formula C9H14ClN3O3S and a molecular weight of 279.75 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide
PubChem CID106150837
Molecular FormulaC9H14ClN3O3S
Molecular Weight279.75 g/mol
Exact Mass279.04
IUPAC Name4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide
SMILESCC(C)C(=O)CNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C9H14ClN3O3S/c1-6(2)8(14)5-12-17(15,16)9-7(10)4-11-13(9)3/h4,6,12H,5H2,1-3H3
InChIKeyUPPGWCFJQZKILI-UHFFFAOYSA-N
XLogP0.58
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide (CID 106150837) is 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide is CC(C)C(=O)CNS(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide?
The InChIKey is UPPGWCFJQZKILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3S/c1-6(2)8(14)5-12-17(15,16)9-7(10)4-11-13(9)3/h4,6,12H,5H2,1-3H3.
What are the key properties of 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide?
4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide has a molecular weight of 279.75 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(3-methyl-2-oxobutyl)pyrazole-5-sulfonamide is sourced from PubChem (CID 106150837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).