N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide

C13H12FN3O3S2 — CID 122244007

IUPACN-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide
SMILESCN1c2cc(F)c(NC(=O)c3cccs3)cc2N(C)S1(=O)=O
InChIInChI=1S/C13H12FN3O3S2/c1-16-10-6-8(14)9(7-11(10)17(2)22(16,19)20)15-13(18)12-4-3-5-21-12/h3-7H,1-2H3,(H,15,18)
InChIKeyJAKDDDHDOBLTES-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.27
Rot. Bonds2

About N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide

N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide (PubChem CID 122244007) has the molecular formula C13H12FN3O3S2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide
PubChem CID122244007
Molecular FormulaC13H12FN3O3S2
Molecular Weight341.39 g/mol
Exact Mass341.03
IUPAC NameN-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide
SMILESCN1c2cc(F)c(NC(=O)c3cccs3)cc2N(C)S1(=O)=O
InChIInChI=1S/C13H12FN3O3S2/c1-16-10-6-8(14)9(7-11(10)17(2)22(16,19)20)15-13(18)12-4-3-5-21-12/h3-7H,1-2H3,(H,15,18)
InChIKeyJAKDDDHDOBLTES-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide with MolForge

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Related Compounds

N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 110361789
N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
CID 61129962
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
CID 17252021
N-(2-bromo-4-fluorophenyl)thiophene-2-carboxamide
CID 28938543
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 42880596
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 953308
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
CID 50792193

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide (CID 122244007) is N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide is CN1c2cc(F)c(NC(=O)c3cccs3)cc2N(C)S1(=O)=O.
What is the InChIKey of N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide?
The InChIKey is JAKDDDHDOBLTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S2/c1-16-10-6-8(14)9(7-11(10)17(2)22(16,19)20)15-13(18)12-4-3-5-21-12/h3-7H,1-2H3,(H,15,18).
What are the key properties of N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide?
N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 122244007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).