N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide

C13H9ClFN3O3S2 — CID 46380261

IUPACN-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2csc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c2)no1
InChIInChI=1S/C13H9ClFN3O3S2/c1-7-16-13(17-21-7)8-4-12(22-6-8)23(19,20)18-9-2-3-11(15)10(14)5-9/h2-6,18H,1H3
InChIKeyFCTVNLLXJPMHEI-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.70
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide

N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide (PubChem CID 46380261) has the molecular formula C13H9ClFN3O3S2 and a molecular weight of 373.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
PubChem CID46380261
Molecular FormulaC13H9ClFN3O3S2
Molecular Weight373.82 g/mol
Exact Mass372.98
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2csc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c2)no1
InChIInChI=1S/C13H9ClFN3O3S2/c1-7-16-13(17-21-7)8-4-12(22-6-8)23(19,20)18-9-2-3-11(15)10(14)5-9/h2-6,18H,1H3
InChIKeyFCTVNLLXJPMHEI-UHFFFAOYSA-N
XLogP3.70
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylphenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 46380254
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042866
N-(3-chloro-4-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134934
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide
CID 53126847
N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 53042636
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 46380257
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
N-(3-chloro-4-fluorophenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53095027
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53042877
N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53042813
(3R)-N-(4-chlorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895856
N-(3-chloro-4-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085849

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide (CID 46380261) is N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide is Cc1nc(-c2csc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c2)no1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is FCTVNLLXJPMHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3S2/c1-7-16-13(17-21-7)8-4-12(22-6-8)23(19,20)18-9-2-3-11(15)10(14)5-9/h2-6,18H,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 373.82 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 46380261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).