5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide

C9H17N3O4S2 — CID 79555430

IUPAC5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H17N3O4S2/c1-7-8(5-10-12-7)18(15,16)11-6-9(2,3)17(4,13)14/h5,11H,6H2,1-4H3,(H,10,12)
InChIKeyFURNZHQUFQYOEC-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.18
Rot. Bonds5

About 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 79555430) has the molecular formula C9H17N3O4S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
PubChem CID79555430
Molecular FormulaC9H17N3O4S2
Molecular Weight295.39 g/mol
Exact Mass295.07
IUPAC Name5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H17N3O4S2/c1-7-8(5-10-12-7)18(15,16)11-6-9(2,3)17(4,13)14/h5,11H,6H2,1-4H3,(H,10,12)
InChIKeyFURNZHQUFQYOEC-UHFFFAOYSA-N
XLogP-0.18
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide (CID 79555430) is 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is FURNZHQUFQYOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S2/c1-7-8(5-10-12-7)18(15,16)11-6-9(2,3)17(4,13)14/h5,11H,6H2,1-4H3,(H,10,12).
What are the key properties of 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 295.39 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 79555430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).