N-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H19N3O4S — CID 71810313

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H19N3O4S/c20-24(21,15-1-2-16-12(9-15)3-8-23-16)18-13-10-17-19(11-13)14-4-6-22-7-5-14/h1-2,9-11,14,18H,3-8H2
InChIKeyGZPPHPXXQIZUDX-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.97
Rot. Bonds4

About N-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 71810313) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID71810313
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H19N3O4S/c20-24(21,15-1-2-16-12(9-15)3-8-23-16)18-13-10-17-19(11-13)14-4-6-22-7-5-14/h1-2,9-11,14,18H,3-8H2
InChIKeyGZPPHPXXQIZUDX-UHFFFAOYSA-N
XLogP1.97
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 71810313) is N-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is GZPPHPXXQIZUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c20-24(21,15-1-2-16-12(9-15)3-8-23-16)18-13-10-17-19(11-13)14-4-6-22-7-5-14/h1-2,9-11,14,18H,3-8H2.
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 349.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 71810313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).