2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid

C14H19N3O5S — CID 167935421

IUPAC2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
SMILESCc1cc(S(=O)(=O)NC(C(=O)O)c2c(C)nn(C)c2C)c(C)o1
InChIInChI=1S/C14H19N3O5S/c1-7-6-11(10(4)22-7)23(20,21)16-13(14(18)19)12-8(2)15-17(5)9(12)3/h6,13,16H,1-5H3,(H,18,19)
InChIKeyZOQDGWROIZNWTN-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.35
Rot. Bonds5

About 2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid

2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid (PubChem CID 167935421) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
PubChem CID167935421
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC Name2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
SMILESCc1cc(S(=O)(=O)NC(C(=O)O)c2c(C)nn(C)c2C)c(C)o1
InChIInChI=1S/C14H19N3O5S/c1-7-6-11(10(4)22-7)23(20,21)16-13(14(18)19)12-8(2)15-17(5)9(12)3/h6,13,16H,1-5H3,(H,18,19)
InChIKeyZOQDGWROIZNWTN-UHFFFAOYSA-N
XLogP1.35
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid (CID 167935421) is 2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid is Cc1cc(S(=O)(=O)NC(C(=O)O)c2c(C)nn(C)c2C)c(C)o1.
What is the InChIKey of 2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid?
The InChIKey is ZOQDGWROIZNWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-7-6-11(10(4)22-7)23(20,21)16-13(14(18)19)12-8(2)15-17(5)9(12)3/h6,13,16H,1-5H3,(H,18,19).
What are the key properties of 2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid?
2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid has a molecular weight of 341.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 167935421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).