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

C13H13N5O3S — CID 84592273

IUPAC1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cccc(-c3nnco3)c2)cn1
InChIInChI=1S/C13H13N5O3S/c1-2-18-8-12(7-15-18)22(19,20)17-11-5-3-4-10(6-11)13-16-14-9-21-13/h3-9,17H,2H2,1H3
InChIKeyUWEDAWQEDSSRGZ-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.75
Rot. Bonds5

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

1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide (PubChem CID 84592273) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide
PubChem CID84592273
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC Name1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cccc(-c3nnco3)c2)cn1
InChIInChI=1S/C13H13N5O3S/c1-2-18-8-12(7-15-18)22(19,20)17-11-5-3-4-10(6-11)13-16-14-9-21-13/h3-9,17H,2H2,1H3
InChIKeyUWEDAWQEDSSRGZ-UHFFFAOYSA-N
XLogP1.75
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692428
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 115928816
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246
N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106061520
N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66133774
1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19684607
N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide
CID 71998050
1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide
CID 50822864
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide (CID 84592273) is 1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cccc(-c3nnco3)c2)cn1.
What is the InChIKey of 1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is UWEDAWQEDSSRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c1-2-18-8-12(7-15-18)22(19,20)17-11-5-3-4-10(6-11)13-16-14-9-21-13/h3-9,17H,2H2,1H3.
What are the key properties of 1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide?
1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 319.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 84592273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).