5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide

C10H11FN4O3S — CID 106392187

IUPAC5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NCc2ncon2)cc1N
InChIInChI=1S/C10H11FN4O3S/c1-6-2-7(11)9(3-8(6)12)19(16,17)14-4-10-13-5-18-15-10/h2-3,5,14H,4,12H2,1H3
InChIKeyKWDZOHMEQKOTJR-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.58
Rot. Bonds4

About 5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide

5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (PubChem CID 106392187) has the molecular formula C10H11FN4O3S and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
PubChem CID106392187
Molecular FormulaC10H11FN4O3S
Molecular Weight286.29 g/mol
Exact Mass286.05
IUPAC Name5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NCc2ncon2)cc1N
InChIInChI=1S/C10H11FN4O3S/c1-6-2-7(11)9(3-8(6)12)19(16,17)14-4-10-13-5-18-15-10/h2-3,5,14H,4,12H2,1H3
InChIKeyKWDZOHMEQKOTJR-UHFFFAOYSA-N
XLogP0.58
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methoxy-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392145
5-amino-2-bromo-4-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392188
5-amino-2,3-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392115
5-amino-2,4-dimethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392075
2-amino-5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392142
4-amino-2-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106407782
5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106411081
3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid
CID 106392086
2-(aminomethyl)-5-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410838
5-amino-2-fluoro-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413667
2-bromo-4,6-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106406985
4-cyano-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106399140

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (CID 106392187) is 5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is Cc1cc(F)c(S(=O)(=O)NCc2ncon2)cc1N.
What is the InChIKey of 5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is KWDZOHMEQKOTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O3S/c1-6-2-7(11)9(3-8(6)12)19(16,17)14-4-10-13-5-18-15-10/h2-3,5,14H,4,12H2,1H3.
What are the key properties of 5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 286.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106392187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).