N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide

C20H16ClF3N2O2S — CID 141280135

IUPACN-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(Cc2ccccc2)c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C20H16ClF3N2O2S/c1-14-6-5-9-17(10-14)29(27,28)26(13-15-7-3-2-4-8-15)19-18(21)11-16(12-25-19)20(22,23)24/h2-12H,13H2,1H3
InChIKeyFFMLWPAUUOULIX-UHFFFAOYSA-N
MW440.87 g/mol
LogP5.46
Rot. Bonds5

About N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide

N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 141280135) has the molecular formula C20H16ClF3N2O2S and a molecular weight of 440.87 g/mol. Its IUPAC name is N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID141280135
Molecular FormulaC20H16ClF3N2O2S
Molecular Weight440.87 g/mol
Exact Mass440.06
IUPAC NameN-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(Cc2ccccc2)c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C20H16ClF3N2O2S/c1-14-6-5-9-17(10-14)29(27,28)26(13-15-7-3-2-4-8-15)19-18(21)11-16(12-25-19)20(22,23)24/h2-12H,13H2,1H3
InChIKeyFFMLWPAUUOULIX-UHFFFAOYSA-N
XLogP5.46
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.87
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide
CID 141280144
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 141280156
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(4-methylphenyl)methyl]sulfamoyl]benzoate
CID 66601329
N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 141280137
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
N-benzyl-N-(4-bromophenyl)-3-methylbenzenesulfonamide
CID 46022840
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]sulfamoyl]benzoic acid
CID 66601030
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]sulfamoyl]benzoate
CID 66601382
methyl 4-[benzyl-(3,5-dichloro-2-pyridinyl)sulfamoyl]benzoate
CID 66601084
4-[benzyl-(3-chloro-5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
CID 118719633
2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 1475890
N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 175361860

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide (CID 141280135) is N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(Cc2ccccc2)c2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is FFMLWPAUUOULIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O2S/c1-14-6-5-9-17(10-14)29(27,28)26(13-15-7-3-2-4-8-15)19-18(21)11-16(12-25-19)20(22,23)24/h2-12H,13H2,1H3.
What are the key properties of N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide?
N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 440.87 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 141280135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).