N-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide

C10H10FN3O3S — CID 99842881

IUPACN-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide
SMILESCc1ccc(F)cc1-c1nnc(NS(C)(=O)=O)o1
InChIInChI=1S/C10H10FN3O3S/c1-6-3-4-7(11)5-8(6)9-12-13-10(17-9)14-18(2,15)16/h3-5H,1-2H3,(H,13,14)
InChIKeyLCKAXOFCCJLAKI-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.56
Rot. Bonds3

About N-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide

N-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide (PubChem CID 99842881) has the molecular formula C10H10FN3O3S and a molecular weight of 271.27 g/mol. Its IUPAC name is N-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide
PubChem CID99842881
Molecular FormulaC10H10FN3O3S
Molecular Weight271.27 g/mol
Exact Mass271.04
IUPAC NameN-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide
SMILESCc1ccc(F)cc1-c1nnc(NS(C)(=O)=O)o1
InChIInChI=1S/C10H10FN3O3S/c1-6-3-4-7(11)5-8(6)9-12-13-10(17-9)14-18(2,15)16/h3-5H,1-2H3,(H,13,14)
InChIKeyLCKAXOFCCJLAKI-UHFFFAOYSA-N
XLogP1.56
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,4-Oxadiazole, 2-amino-5-phenyl-
CID 15363
5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine
CID 356898
1,3,4-Oxadiazole, 2-amino-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-
CID 21938
5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 2737915
1,3,4-Oxadiazole, 2-amino-5-(o-tolyl)-
CID 15637
5-(3-Fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 20113026
5-(2,4-Dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 20120079
N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-2-methylbenzamide
CID 3426335
5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 853522
N-[[(1S,4S,6S)-4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]methanesulfonamide
CID 45783946
5-(3-Tert-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 73292152
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 127046477

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide (CID 99842881) is N-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide is Cc1ccc(F)cc1-c1nnc(NS(C)(=O)=O)o1.
What is the InChIKey of N-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide?
The InChIKey is LCKAXOFCCJLAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3S/c1-6-3-4-7(11)5-8(6)9-12-13-10(17-9)14-18(2,15)16/h3-5H,1-2H3,(H,13,14).
What are the key properties of N-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide?
N-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide has a molecular weight of 271.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 99842881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).