N-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C13H19N3O3S — CID 71806369

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2c(C)nn(C)c2C)c(C)o1
InChIInChI=1S/C13H19N3O3S/c1-8-6-12(11(4)19-8)7-14-20(17,18)13-9(2)15-16(5)10(13)3/h6,14H,7H2,1-5H3
InChIKeySPLXNUKZUQISCN-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.73
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71806369) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71806369
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2c(C)nn(C)c2C)c(C)o1
InChIInChI=1S/C13H19N3O3S/c1-8-6-12(11(4)19-8)7-14-20(17,18)13-9(2)15-16(5)10(13)3/h6,14H,7H2,1-5H3
InChIKeySPLXNUKZUQISCN-UHFFFAOYSA-N
XLogP1.73
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71806369) is N-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1cc(CNS(=O)(=O)c2c(C)nn(C)c2C)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is SPLXNUKZUQISCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-6-12(11(4)19-8)7-14-20(17,18)13-9(2)15-16(5)10(13)3/h6,14H,7H2,1-5H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).