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

C18H13FN4O3S2 — CID 27375512

IUPACN-(4-fluorophenyl)-N-methyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H13FN4O3S2/c1-23(14-4-2-13(19)3-5-14)28(24,25)15-8-11-27-16(15)18-21-17(22-26-18)12-6-9-20-10-7-12/h2-11H,1H3
InChIKeyMDHMNZYQQTUWTQ-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.82
Rot. Bonds5

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

N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (PubChem CID 27375512) 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-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
PubChem CID27375512
Molecular FormulaC18H13FN4O3S2
Molecular Weight416.46 g/mol
Exact Mass416.04
IUPAC NameN-(4-fluorophenyl)-N-methyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H13FN4O3S2/c1-23(14-4-2-13(19)3-5-14)28(24,25)15-8-11-27-16(15)18-21-17(22-26-18)12-6-9-20-10-7-12/h2-11H,1H3
InChIKeyMDHMNZYQQTUWTQ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 3240032
CID 3240032
CID 155543295
CID 155543295
CID 74222958
CID 74222958
CID 118424757
CID 118424757
CID 699625
CID 699625
CID 142672379
CID 142672379
CID 27375147
CID 27375147
CID 27375148
CID 27375148
CID 27375513
CID 27375513
CID 27375522
CID 27375522
CID 27375529
CID 27375529
CID 27375530
CID 27375530

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide (CID 27375512) is N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccncc2)no1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is MDHMNZYQQTUWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O3S2/c1-23(14-4-2-13(19)3-5-14)28(24,25)15-8-11-27-16(15)18-21-17(22-26-18)12-6-9-20-10-7-12/h2-11H,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide?
N-(4-fluorophenyl)-N-methyl-2-(3-pyridin-4-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-4-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 27375512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).