N-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide

C11H19N3O4S2 — CID 110705704

IUPACN-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19N3O4S2/c1-8-11(9(2)13(3)12-8)20(17,18)14(4)10-5-6-19(15,16)7-10/h10H,5-7H2,1-4H3
InChIKeyKGZTZXHJOGKFFV-UHFFFAOYSA-N
MW321.42 g/mol
LogP-0.16
Rot. Bonds3

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

N-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide (PubChem CID 110705704) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide
PubChem CID110705704
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19N3O4S2/c1-8-11(9(2)13(3)12-8)20(17,18)14(4)10-5-6-19(15,16)7-10/h10H,5-7H2,1-4H3
InChIKeyKGZTZXHJOGKFFV-UHFFFAOYSA-N
XLogP-0.16
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide (CID 110705704) is N-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The InChIKey is KGZTZXHJOGKFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-8-11(9(2)13(3)12-8)20(17,18)14(4)10-5-6-19(15,16)7-10/h10H,5-7H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide has a molecular weight of 321.42 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide is sourced from PubChem (CID 110705704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).