1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide

C8H15N3O4S2 — CID 15136916

IUPAC1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide
SMILESCCCS(=O)(=O)c1c(S(N)(=O)=O)c(C)nn1C
InChIInChI=1S/C8H15N3O4S2/c1-4-5-16(12,13)8-7(17(9,14)15)6(2)10-11(8)3/h4-5H2,1-3H3,(H2,9,14,15)
InChIKeyCLZVIULAQUSRCK-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.44
Rot. Bonds4

About 1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide

1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide (PubChem CID 15136916) has the molecular formula C8H15N3O4S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide
PubChem CID15136916
Molecular FormulaC8H15N3O4S2
Molecular Weight281.36 g/mol
Exact Mass281.05
IUPAC Name1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide
SMILESCCCS(=O)(=O)c1c(S(N)(=O)=O)c(C)nn1C
InChIInChI=1S/C8H15N3O4S2/c1-4-5-16(12,13)8-7(17(9,14)15)6(2)10-11(8)3/h4-5H2,1-3H3,(H2,9,14,15)
InChIKeyCLZVIULAQUSRCK-UHFFFAOYSA-N
XLogP-0.44
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide (CID 15136916) is 1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide is CCCS(=O)(=O)c1c(S(N)(=O)=O)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide?
The InChIKey is CLZVIULAQUSRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4S2/c1-4-5-16(12,13)8-7(17(9,14)15)6(2)10-11(8)3/h4-5H2,1-3H3,(H2,9,14,15).
What are the key properties of 1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide?
1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide has a molecular weight of 281.36 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propylsulfonylpyrazole-4-sulfonamide is sourced from PubChem (CID 15136916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).