N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide

C15H11N5O3S — CID 75446319

IUPACN-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cn[nH]c1
InChIInChI=1S/C15H11N5O3S/c21-24(22,11-8-17-18-9-11)20-10-4-5-12-14(7-10)23-15(19-12)13-3-1-2-6-16-13/h1-9,20H,(H,17,18)
InChIKeyVFKWQVALLCCOLH-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.41
Rot. Bonds4

About N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide

N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 75446319) has the molecular formula C15H11N5O3S and a molecular weight of 341.35 g/mol. Its IUPAC name is N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide
PubChem CID75446319
Molecular FormulaC15H11N5O3S
Molecular Weight341.35 g/mol
Exact Mass341.06
IUPAC NameN-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cn[nH]c1
InChIInChI=1S/C15H11N5O3S/c21-24(22,11-8-17-18-9-11)20-10-4-5-12-14(7-10)23-15(19-12)13-3-1-2-6-16-13/h1-9,20H,(H,17,18)
InChIKeyVFKWQVALLCCOLH-UHFFFAOYSA-N
XLogP2.41
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide (CID 75446319) is N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cn[nH]c1.
What is the InChIKey of N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VFKWQVALLCCOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3S/c21-24(22,11-8-17-18-9-11)20-10-4-5-12-14(7-10)23-15(19-12)13-3-1-2-6-16-13/h1-9,20H,(H,17,18).
What are the key properties of N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide?
N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 341.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 75446319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).