N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide

C12H10N4O3S — CID 102691965

IUPACN-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cnco2)c1)c1ccn[nH]1
InChIInChI=1S/C12H10N4O3S/c17-20(18,12-4-5-14-15-12)16-10-3-1-2-9(6-10)11-7-13-8-19-11/h1-8,16H,(H,14,15)
InChIKeyNGIMQGKDVPXYGS-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.87
Rot. Bonds4

About N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide

N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102691965) has the molecular formula C12H10N4O3S and a molecular weight of 290.30 g/mol. Its IUPAC name is N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide
PubChem CID102691965
Molecular FormulaC12H10N4O3S
Molecular Weight290.30 g/mol
Exact Mass290.05
IUPAC NameN-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cnco2)c1)c1ccn[nH]1
InChIInChI=1S/C12H10N4O3S/c17-20(18,12-4-5-14-15-12)16-10-3-1-2-9(6-10)11-7-13-8-19-11/h1-8,16H,(H,14,15)
InChIKeyNGIMQGKDVPXYGS-UHFFFAOYSA-N
XLogP1.87
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide (CID 102691965) is N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1cccc(-c2cnco2)c1)c1ccn[nH]1.
What is the InChIKey of N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is NGIMQGKDVPXYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3S/c17-20(18,12-4-5-14-15-12)16-10-3-1-2-9(6-10)11-7-13-8-19-11/h1-8,16H,(H,14,15).
What are the key properties of N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide?
N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 290.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).