N-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide

C14H13F3N2O2S — CID 66714435

IUPACN-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1ccncc1-c1ccc(NS(C)(=O)=O)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O2S/c1-9-5-6-18-8-12(9)11-4-3-10(19-22(2,20)21)7-13(11)14(15,16)17/h3-8,19H,1-2H3
InChIKeyYJWSANAWCUWFMG-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.45
Rot. Bonds3

About N-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide

N-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 66714435) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID66714435
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC NameN-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1ccncc1-c1ccc(NS(C)(=O)=O)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O2S/c1-9-5-6-18-8-12(9)11-4-3-10(19-22(2,20)21)7-13(11)14(15,16)17/h3-8,19H,1-2H3
InChIKeyYJWSANAWCUWFMG-UHFFFAOYSA-N
XLogP3.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide (CID 66714435) is N-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide is Cc1ccncc1-c1ccc(NS(C)(=O)=O)cc1C(F)(F)F.
What is the InChIKey of N-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is YJWSANAWCUWFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-9-5-6-18-8-12(9)11-4-3-10(19-22(2,20)21)7-13(11)14(15,16)17/h3-8,19H,1-2H3.
What are the key properties of N-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide?
N-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 330.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 66714435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).