N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide

C12H9F3N2O2S — CID 697901

IUPACN-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O2S/c13-12(14,15)9-3-1-5-11(7-9)20(18,19)17-10-4-2-6-16-8-10/h1-8,17H
InChIKeyVRXPIPHFBIPRBF-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.90
Rot. Bonds3

About N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide

N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 697901) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID697901
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC NameN-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O2S/c13-12(14,15)9-3-1-5-11(7-9)20(18,19)17-10-4-2-6-16-8-10/h1-8,17H
InChIKeyVRXPIPHFBIPRBF-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-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide (CID 697901) is N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccnc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VRXPIPHFBIPRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c13-12(14,15)9-3-1-5-11(7-9)20(18,19)17-10-4-2-6-16-8-10/h1-8,17H.
What are the key properties of N-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
N-pyridin-3-yl-3-(trifluoromethyl)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-pyridin-3-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 697901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).