3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride

C11H12FN3O5S2 — CID 126819592

IUPAC3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride
SMILESCCCc1nnc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)o1
InChIInChI=1S/C11H12FN3O5S2/c1-2-4-10-13-14-11(20-10)15-22(18,19)9-6-3-5-8(7-9)21(12,16)17/h3,5-7H,2,4H2,1H3,(H,14,15)
InChIKeyGYPKWVGYFAXDCU-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.48
Rot. Bonds6

About 3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride

3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 126819592) has the molecular formula C11H12FN3O5S2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID126819592
Molecular FormulaC11H12FN3O5S2
Molecular Weight349.37 g/mol
Exact Mass349.02
IUPAC Name3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride
SMILESCCCc1nnc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)o1
InChIInChI=1S/C11H12FN3O5S2/c1-2-4-10-13-14-11(20-10)15-22(18,19)9-6-3-5-8(7-9)21(12,16)17/h3,5-7H,2,4H2,1H3,(H,14,15)
InChIKeyGYPKWVGYFAXDCU-UHFFFAOYSA-N
XLogP1.48
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-butyl-1,3,4-oxadiazol-2-yl)-4-ethenylbenzenesulfonamide
CID 126829172
3-propylbenzenesulfonyl fluoride
CID 153373581
3-(3-methylpentan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958246
3-(5-butyl-1,3,4-oxadiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 122494868
3-(2,3-dimethylbutylsulfamoyl)benzenesulfonyl fluoride
CID 114958375
3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958356
3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide
CID 126811400
3-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide
CID 106966827
4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 126829171
3-(2,3,3-trimethylbutylsulfamoyl)benzenesulfonyl fluoride
CID 114958447
3-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]benzenesulfonyl fluoride
CID 126815493
4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 104826666

Frequently Asked Questions

What is the IUPAC name of 3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride (CID 126819592) is 3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride is CCCc1nnc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)o1.
What is the InChIKey of 3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is GYPKWVGYFAXDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O5S2/c1-2-4-10-13-14-11(20-10)15-22(18,19)9-6-3-5-8(7-9)21(12,16)17/h3,5-7H,2,4H2,1H3,(H,14,15).
What are the key properties of 3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride?
3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 349.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 126819592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).