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

C14H12FN3O3S2 — CID 53140875

IUPAC3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide
SMILESCc1nnc(-c2cc(NS(=O)(=O)c3cccc(F)c3)c(C)s2)o1
InChIInChI=1S/C14H12FN3O3S2/c1-8-12(7-13(22-8)14-17-16-9(2)21-14)18-23(19,20)11-5-3-4-10(15)6-11/h3-7,18H,1-2H3
InChIKeyYJJHRAPCYZHDHM-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.35
Rot. Bonds4

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

3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide (PubChem CID 53140875) has the molecular formula C14H12FN3O3S2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide
PubChem CID53140875
Molecular FormulaC14H12FN3O3S2
Molecular Weight353.40 g/mol
Exact Mass353.03
IUPAC Name3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide
SMILESCc1nnc(-c2cc(NS(=O)(=O)c3cccc(F)c3)c(C)s2)o1
InChIInChI=1S/C14H12FN3O3S2/c1-8-12(7-13(22-8)14-17-16-9(2)21-14)18-23(19,20)11-5-3-4-10(15)6-11/h3-7,18H,1-2H3
InChIKeyYJJHRAPCYZHDHM-UHFFFAOYSA-N
XLogP3.35
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide with MolForge

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Related Compounds

3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 60534651
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
3-fluoro-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide
CID 54937318
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725699
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 102976117
3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896243
4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725588
4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
CID 53140670
3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3391096
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821260
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide (CID 53140875) is 3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide is Cc1nnc(-c2cc(NS(=O)(=O)c3cccc(F)c3)c(C)s2)o1.
What is the InChIKey of 3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is YJJHRAPCYZHDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3S2/c1-8-12(7-13(22-8)14-17-16-9(2)21-14)18-23(19,20)11-5-3-4-10(15)6-11/h3-7,18H,1-2H3.
What are the key properties of 3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide?
3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 353.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 53140875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).