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

C10H10FN3O3S — CID 75448302

IUPAC3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(F)c2C)no1
InChIInChI=1S/C10H10FN3O3S/c1-6-8(11)4-3-5-9(6)18(15,16)14-10-12-7(2)17-13-10/h3-5H,1-2H3,(H,13,14)
InChIKeyLUCACMMKFYCCRU-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.63
Rot. Bonds3

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

3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 75448302) has the molecular formula C10H10FN3O3S and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
PubChem CID75448302
Molecular FormulaC10H10FN3O3S
Molecular Weight271.27 g/mol
Exact Mass271.04
IUPAC Name3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(F)c2C)no1
InChIInChI=1S/C10H10FN3O3S/c1-6-8(11)4-3-5-9(6)18(15,16)14-10-12-7(2)17-13-10/h3-5H,1-2H3,(H,13,14)
InChIKeyLUCACMMKFYCCRU-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 166435783
3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 75517545
N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenesulfonamide
CID 84599824
N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide
CID 75448330
N-[(3S)-3-aminobutyl]-3-fluoro-2-methylbenzenesulfonamide
CID 99819169
2-fluoro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 106399377
N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119973457
N-(2-fluorophenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-3-sulfonamide
CID 53041479
N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 43330093
N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 107860458
2-bromo-6-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746575
N-(2,6-difluorophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110428877

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (CID 75448302) is 3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2cccc(F)c2C)no1.
What is the InChIKey of 3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is LUCACMMKFYCCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3S/c1-6-8(11)4-3-5-9(6)18(15,16)14-10-12-7(2)17-13-10/h3-5H,1-2H3,(H,13,14).
What are the key properties of 3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide has a molecular weight of 271.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 75448302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).