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

C15H12FN3O3S — CID 110725588

IUPAC4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1nnc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)o1
InChIInChI=1S/C15H12FN3O3S/c1-10-17-18-15(22-10)11-2-6-13(7-3-11)19-23(20,21)14-8-4-12(16)5-9-14/h2-9,19H,1H3
InChIKeyXZFNKJJFTUBFFU-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.98
Rot. Bonds4

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

4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 110725588) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
PubChem CID110725588
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1nnc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)o1
InChIInChI=1S/C15H12FN3O3S/c1-10-17-18-15(22-10)11-2-6-13(7-3-11)19-23(20,21)14-8-4-12(16)5-9-14/h2-9,19H,1H3
InChIKeyXZFNKJJFTUBFFU-UHFFFAOYSA-N
XLogP2.98
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725589
4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 104826666
N-[4-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 1150517
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725699
4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide
CID 99800633
4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523305
N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 146733141
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 1150484
4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 14870864

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (CID 110725588) is 4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is Cc1nnc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)o1.
What is the InChIKey of 4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is XZFNKJJFTUBFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c1-10-17-18-15(22-10)11-2-6-13(7-3-11)19-23(20,21)14-8-4-12(16)5-9-14/h2-9,19H,1H3.
What are the key properties of 4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 333.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110725588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).