N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

C12H9F3N2O2S — CID 2815858

IUPACN-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C12H9F3N2O2S/c13-12(14,15)9-6-7-11(16-8-9)17-20(18,19)10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChIKeyNSXKYUJNYQTJLA-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.90
Rot. Bonds3

About N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 2815858) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID2815858
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC NameN-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C12H9F3N2O2S/c13-12(14,15)9-6-7-11(16-8-9)17-20(18,19)10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChIKeyNSXKYUJNYQTJLA-UHFFFAOYSA-N
XLogP2.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (CID 2815858) is N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1ccccc1.
What is the InChIKey of N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is NSXKYUJNYQTJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c13-12(14,15)9-6-7-11(16-8-9)17-20(18,19)10-4-2-1-3-5-10/h1-8H,(H,16,17).
What are the key properties of N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 302.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 2815858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).