N-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide

C19H15FN4O3S2 — CID 27375530

IUPACN-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccnc3)no2)cc1F
InChIInChI=1S/C19H15FN4O3S2/c1-12-5-6-14(10-15(12)20)24(2)29(25,26)16-7-9-28-17(16)19-22-18(23-27-19)13-4-3-8-21-11-13/h3-11H,1-2H3
InChIKeyCTTMTRLWVJXOSH-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.13
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide

N-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (PubChem CID 27375530) has the molecular formula C19H15FN4O3S2 and a molecular weight of 430.49 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
PubChem CID27375530
Molecular FormulaC19H15FN4O3S2
Molecular Weight430.49 g/mol
Exact Mass430.06
IUPAC NameN-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccnc3)no2)cc1F
InChIInChI=1S/C19H15FN4O3S2/c1-12-5-6-14(10-15(12)20)24(2)29(25,26)16-7-9-28-17(16)19-22-18(23-27-19)13-4-3-8-21-11-13/h3-11H,1-2H3
InChIKeyCTTMTRLWVJXOSH-UHFFFAOYSA-N
XLogP4.13
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (CID 27375530) is N-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccnc3)no2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is CTTMTRLWVJXOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S2/c1-12-5-6-14(10-15(12)20)24(2)29(25,26)16-7-9-28-17(16)19-22-18(23-27-19)13-4-3-8-21-11-13/h3-11H,1-2H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
N-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 430.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 27375530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).