N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide

C9H12N4O4S2 — CID 145258467

IUPACN-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cnn(C2=CC(=O)NS2=O)c1
InChIInChI=1S/C9H12N4O4S2/c1-6(2)19(16,17)12-7-4-10-13(5-7)9-3-8(14)11-18(9)15/h3-6,12H,1-2H3,(H,11,14)
InChIKeyPLEPXPITFHVDRM-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.37
Rot. Bonds4

About N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide

N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide (PubChem CID 145258467) has the molecular formula C9H12N4O4S2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide
PubChem CID145258467
Molecular FormulaC9H12N4O4S2
Molecular Weight304.35 g/mol
Exact Mass304.03
IUPAC NameN-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cnn(C2=CC(=O)NS2=O)c1
InChIInChI=1S/C9H12N4O4S2/c1-6(2)19(16,17)12-7-4-10-13(5-7)9-3-8(14)11-18(9)15/h3-6,12H,1-2H3,(H,11,14)
InChIKeyPLEPXPITFHVDRM-UHFFFAOYSA-N
XLogP-0.37
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide?
The IUPAC name of N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide (CID 145258467) is N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide?
The canonical SMILES for N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cnn(C2=CC(=O)NS2=O)c1.
What is the InChIKey of N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide?
The InChIKey is PLEPXPITFHVDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4S2/c1-6(2)19(16,17)12-7-4-10-13(5-7)9-3-8(14)11-18(9)15/h3-6,12H,1-2H3,(H,11,14).
What are the key properties of N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide?
N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide has a molecular weight of 304.35 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]propane-2-sulfonamide is sourced from PubChem (CID 145258467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).