N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C19H14ClF3N2O2S — CID 11582694

IUPACN-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1-c1ccccc1Cl
InChIInChI=1S/C19H14ClF3N2O2S/c1-12-15(16-7-2-3-8-17(16)20)9-10-18(24-12)25-28(26,27)14-6-4-5-13(11-14)19(21,22)23/h2-11H,1H3,(H,24,25)
InChIKeyMYYGUKSFIQCVIY-UHFFFAOYSA-N
MW426.85 g/mol
LogP5.53
Rot. Bonds4

About N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11582694) has the molecular formula C19H14ClF3N2O2S and a molecular weight of 426.85 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11582694
Molecular FormulaC19H14ClF3N2O2S
Molecular Weight426.85 g/mol
Exact Mass426.04
IUPAC NameN-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1-c1ccccc1Cl
InChIInChI=1S/C19H14ClF3N2O2S/c1-12-15(16-7-2-3-8-17(16)20)9-10-18(24-12)25-28(26,27)14-6-4-5-13(11-14)19(21,22)23/h2-11H,1H3,(H,24,25)
InChIKeyMYYGUKSFIQCVIY-UHFFFAOYSA-N
XLogP5.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.85
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 11582694) is N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1-c1ccccc1Cl.
What is the InChIKey of N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MYYGUKSFIQCVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2S/c1-12-15(16-7-2-3-8-17(16)20)9-10-18(24-12)25-28(26,27)14-6-4-5-13(11-14)19(21,22)23/h2-11H,1H3,(H,24,25).
What are the key properties of N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 426.85 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11582694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).