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

C14H21N3O3S — CID 95163316

IUPACN-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1cc([C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(C)o1
InChIInChI=1S/C14H21N3O3S/c1-8-7-13(12(5)20-8)9(2)16-21(18,19)14-10(3)15-17(6)11(14)4/h7,9,16H,1-6H3/t9-/m0/s1
InChIKeyQLUUXZOCGYCVLF-VIFPVBQESA-N
MW311.41 g/mol
LogP2.29
Rot. Bonds4

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

N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 95163316) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID95163316
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1cc([C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(C)o1
InChIInChI=1S/C14H21N3O3S/c1-8-7-13(12(5)20-8)9(2)16-21(18,19)14-10(3)15-17(6)11(14)4/h7,9,16H,1-6H3/t9-/m0/s1
InChIKeyQLUUXZOCGYCVLF-VIFPVBQESA-N
XLogP2.29
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 95163316) is N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1cc([C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(C)o1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is QLUUXZOCGYCVLF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-8-7-13(12(5)20-8)9(2)16-21(18,19)14-10(3)15-17(6)11(14)4/h7,9,16H,1-6H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 95163316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).