N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C14H9F3N4O3S — CID 71230839

IUPACN-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H9F3N4O3S/c15-14(16,17)13-19-12(20-24-13)9-3-5-11(6-4-9)25(22,23)21-10-2-1-7-18-8-10/h1-8,21H
InChIKeyPYHKYGFZDLEQKV-UHFFFAOYSA-N
MW370.31 g/mol
LogP2.95
Rot. Bonds4

About N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 71230839) has the molecular formula C14H9F3N4O3S and a molecular weight of 370.31 g/mol. Its IUPAC name is N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID71230839
Molecular FormulaC14H9F3N4O3S
Molecular Weight370.31 g/mol
Exact Mass370.03
IUPAC NameN-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H9F3N4O3S/c15-14(16,17)13-19-12(20-24-13)9-3-5-11(6-4-9)25(22,23)21-10-2-1-7-18-8-10/h1-8,21H
InChIKeyPYHKYGFZDLEQKV-UHFFFAOYSA-N
XLogP2.95
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 71230839) is N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1cccnc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is PYHKYGFZDLEQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O3S/c15-14(16,17)13-19-12(20-24-13)9-3-5-11(6-4-9)25(22,23)21-10-2-1-7-18-8-10/h1-8,21H.
What are the key properties of N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 370.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 71230839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).