N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide

C11H9N5O3S — CID 102692428

IUPACN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnco2)c1)c1ccn[nH]1
InChIInChI=1S/C11H9N5O3S/c17-20(18,10-4-5-12-14-10)16-9-3-1-2-8(6-9)11-15-13-7-19-11/h1-7,16H,(H,12,14)
InChIKeyRLLKBDIIRMRRTM-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.26
Rot. Bonds4

About N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide

N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692428) has the molecular formula C11H9N5O3S and a molecular weight of 291.29 g/mol. Its IUPAC name is N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692428
Molecular FormulaC11H9N5O3S
Molecular Weight291.29 g/mol
Exact Mass291.04
IUPAC NameN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnco2)c1)c1ccn[nH]1
InChIInChI=1S/C11H9N5O3S/c17-20(18,10-4-5-12-14-10)16-9-3-1-2-8(6-9)11-15-13-7-19-11/h1-7,16H,(H,12,14)
InChIKeyRLLKBDIIRMRRTM-UHFFFAOYSA-N
XLogP1.26
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691965
N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692751
3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662478
N-(3-chlorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691568
N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691960
1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide
CID 84592273
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691736
N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 115928816
2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide
CID 102692658
N-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide
CID 67282308
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide (CID 102692428) is N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1cccc(-c2nnco2)c1)c1ccn[nH]1.
What is the InChIKey of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is RLLKBDIIRMRRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O3S/c17-20(18,10-4-5-12-14-10)16-9-3-1-2-8(6-9)11-15-13-7-19-11/h1-7,16H,(H,12,14).
What are the key properties of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide?
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 291.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).