5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide

C14H19N3O3S2 — CID 71810298

IUPAC5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)s1
InChIInChI=1S/C14H19N3O3S2/c1-2-13-3-4-14(21-13)22(18,19)16-11-9-15-17(10-11)12-5-7-20-8-6-12/h3-4,9-10,12,16H,2,5-8H2,1H3
InChIKeyNIJORASTLKHKSU-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.66
Rot. Bonds5

About 5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide

5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide (PubChem CID 71810298) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide
PubChem CID71810298
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)s1
InChIInChI=1S/C14H19N3O3S2/c1-2-13-3-4-14(21-13)22(18,19)16-11-9-15-17(10-11)12-5-7-20-8-6-12/h3-4,9-10,12,16H,2,5-8H2,1H3
InChIKeyNIJORASTLKHKSU-UHFFFAOYSA-N
XLogP2.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide (CID 71810298) is 5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)s1.
What is the InChIKey of 5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is NIJORASTLKHKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-2-13-3-4-14(21-13)22(18,19)16-11-9-15-17(10-11)12-5-7-20-8-6-12/h3-4,9-10,12,16H,2,5-8H2,1H3.
What are the key properties of 5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide?
5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71810298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).