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

C15H11F2N3O3S — CID 53042636

IUPACN-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1nc(-c2cccc(S(=O)(=O)Nc3ccc(F)c(F)c3)c2)no1
InChIInChI=1S/C15H11F2N3O3S/c1-9-18-15(19-23-9)10-3-2-4-12(7-10)24(21,22)20-11-5-6-13(16)14(17)8-11/h2-8,20H,1H3
InChIKeyFZSMGFFJVNFNCL-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.12
Rot. Bonds4

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

N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 53042636) has the molecular formula C15H11F2N3O3S and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
PubChem CID53042636
Molecular FormulaC15H11F2N3O3S
Molecular Weight351.33 g/mol
Exact Mass351.05
IUPAC NameN-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1nc(-c2cccc(S(=O)(=O)Nc3ccc(F)c(F)c3)c2)no1
InChIInChI=1S/C15H11F2N3O3S/c1-9-18-15(19-23-9)10-3-2-4-12(7-10)24(21,22)20-11-5-6-13(16)14(17)8-11/h2-8,20H,1H3
InChIKeyFZSMGFFJVNFNCL-UHFFFAOYSA-N
XLogP3.12
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 46365646
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 138008041
N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 53042625
N-(3,4-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50842970
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 53095647
1-(3,4-difluorophenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50778209
N-[4,5-dichloro-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57383064
N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 46380261
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 50808247
N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583135
N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 53054412

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (CID 53042636) is N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is Cc1nc(-c2cccc(S(=O)(=O)Nc3ccc(F)c(F)c3)c2)no1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is FZSMGFFJVNFNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S/c1-9-18-15(19-23-9)10-3-2-4-12(7-10)24(21,22)20-11-5-6-13(16)14(17)8-11/h2-8,20H,1H3.
What are the key properties of N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide has a molecular weight of 351.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 53042636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).