1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide

C11H19N3O4S2 — CID 82698827

IUPAC1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide
SMILESCCc1nn(C2CCS(=O)(=O)C2)c(CC)c1S(N)(=O)=O
InChIInChI=1S/C11H19N3O4S2/c1-3-9-11(20(12,17)18)10(4-2)14(13-9)8-5-6-19(15,16)7-8/h8H,3-7H2,1-2H3,(H2,12,17,18)
InChIKeyGYCJRYFYHBNVQK-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.01
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide

1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide (PubChem CID 82698827) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide
PubChem CID82698827
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide
SMILESCCc1nn(C2CCS(=O)(=O)C2)c(CC)c1S(N)(=O)=O
InChIInChI=1S/C11H19N3O4S2/c1-3-9-11(20(12,17)18)10(4-2)14(13-9)8-5-6-19(15,16)7-8/h8H,3-7H2,1-2H3,(H2,12,17,18)
InChIKeyGYCJRYFYHBNVQK-UHFFFAOYSA-N
XLogP0.01
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-carboxylic acid
CID 107430847
2-(1,1-dioxothiolan-3-yl)-4-ethyl-5-(2-methylpropyl)pyrazol-3-amine
CID 43670933
1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
CID 104519686
4-[2-(1,1-dioxothiolan-3-yl)-5-ethyl-1,2,4-triazol-3-yl]benzenesulfonamide
CID 72872447
2-(1,1-dioxothiolan-3-yl)-5-(2-methoxyethyl)-4-propylpyrazol-3-amine
CID 79406032
3-N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-4-methylsulfonylpyrazole-3,5-diamine
CID 102825401
3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine
CID 83154715
1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 98116238
3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide
CID 66021750
1-(1,1-dioxothiolan-3-yl)-3-(3-ethyl-1-methylpyrazol-4-yl)pyrazol-5-amine
CID 102810616
1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
CID 104519673
5-chloro-1-(1,1-dioxothiolan-3-yl)-3-propylpyrazole-4-carboxylic acid
CID 43145623

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide (CID 82698827) is 1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide is CCc1nn(C2CCS(=O)(=O)C2)c(CC)c1S(N)(=O)=O.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide?
The InChIKey is GYCJRYFYHBNVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-3-9-11(20(12,17)18)10(4-2)14(13-9)8-5-6-19(15,16)7-8/h8H,3-7H2,1-2H3,(H2,12,17,18).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide?
1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide has a molecular weight of 321.42 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-sulfonamide is sourced from PubChem (CID 82698827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).