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

C18H13FN4O3S2 — CID 27375529

IUPACN-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H13FN4O3S2/c1-23(14-6-4-13(19)5-7-14)28(24,25)15-8-10-27-16(15)18-21-17(22-26-18)12-3-2-9-20-11-12/h2-11H,1H3
InChIKeyRBIRMQYUTALYAE-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.82
Rot. Bonds5

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

N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (PubChem CID 27375529) has the molecular formula C18H13FN4O3S2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
PubChem CID27375529
Molecular FormulaC18H13FN4O3S2
Molecular Weight416.46 g/mol
Exact Mass416.04
IUPAC NameN-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H13FN4O3S2/c1-23(14-6-4-13(19)5-7-14)28(24,25)15-8-10-27-16(15)18-21-17(22-26-18)12-3-2-9-20-11-12/h2-11H,1H3
InChIKeyRBIRMQYUTALYAE-UHFFFAOYSA-N
XLogP3.82
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (CID 27375529) is N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2cccnc2)no1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is RBIRMQYUTALYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O3S2/c1-23(14-6-4-13(19)5-7-14)28(24,25)15-8-10-27-16(15)18-21-17(22-26-18)12-3-2-9-20-11-12/h2-11H,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 416.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 27375529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).