N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide

C12H17N3O4S — CID 138997207

IUPACN-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide
SMILESCOCC(NS(=O)(=O)c1c(C)cnn1C)c1ccco1
InChIInChI=1S/C12H17N3O4S/c1-9-7-13-15(2)12(9)20(16,17)14-10(8-18-3)11-5-4-6-19-11/h4-7,10,14H,8H2,1-3H3
InChIKeyXTDBBNLSUYDJSI-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.99
Rot. Bonds6

About N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide

N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide (PubChem CID 138997207) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide
PubChem CID138997207
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide
SMILESCOCC(NS(=O)(=O)c1c(C)cnn1C)c1ccco1
InChIInChI=1S/C12H17N3O4S/c1-9-7-13-15(2)12(9)20(16,17)14-10(8-18-3)11-5-4-6-19-11/h4-7,10,14H,8H2,1-3H3
InChIKeyXTDBBNLSUYDJSI-UHFFFAOYSA-N
XLogP0.99
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide?
The IUPAC name of N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide (CID 138997207) is N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide is COCC(NS(=O)(=O)c1c(C)cnn1C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide?
The InChIKey is XTDBBNLSUYDJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-9-7-13-15(2)12(9)20(16,17)14-10(8-18-3)11-5-4-6-19-11/h4-7,10,14H,8H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide?
N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide has a molecular weight of 299.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-methoxyethyl]-1,4-dimethylpyrazole-5-sulfonamide is sourced from PubChem (CID 138997207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).