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

C19H13ClF4N2O2S — CID 141280144

IUPACN-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H13ClF4N2O2S/c20-15-10-14(19(22,23)24)11-25-18(15)26(12-13-6-2-1-3-7-13)29(27,28)17-9-5-4-8-16(17)21/h1-11H,12H2
InChIKeyIDSOYFSWJYCCGM-UHFFFAOYSA-N
MW444.84 g/mol
LogP5.29
Rot. Bonds5

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

N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide (PubChem CID 141280144) has the molecular formula C19H13ClF4N2O2S and a molecular weight of 444.84 g/mol. Its IUPAC name is N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide
PubChem CID141280144
Molecular FormulaC19H13ClF4N2O2S
Molecular Weight444.84 g/mol
Exact Mass444.03
IUPAC NameN-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H13ClF4N2O2S/c20-15-10-14(19(22,23)24)11-25-18(15)26(12-13-6-2-1-3-7-13)29(27,28)17-9-5-4-8-16(17)21/h1-11H,12H2
InChIKeyIDSOYFSWJYCCGM-UHFFFAOYSA-N
XLogP5.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.84
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 141280156
N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 141280135
N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 141280137
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(4-methylphenyl)methyl]sulfamoyl]benzoate
CID 66601329
3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(1-methylindol-5-yl)methyl]sulfamoyl]benzoic acid
CID 56953180
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]sulfamoyl]benzoic acid
CID 66601030
4-[benzyl-(3-chloro-5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
CID 118719633
ethyl 3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]sulfamoyl]benzoate
CID 66837913
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(1-methylindazol-5-yl)methyl]sulfamoyl]-3-ethylbenzoate
CID 66837878
2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 1475890
N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 60875723
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]sulfamoyl]benzoate
CID 66601382

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide (CID 141280144) is N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide is O=S(=O)(c1ccccc1F)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide?
The InChIKey is IDSOYFSWJYCCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF4N2O2S/c20-15-10-14(19(22,23)24)11-25-18(15)26(12-13-6-2-1-3-7-13)29(27,28)17-9-5-4-8-16(17)21/h1-11H,12H2.
What are the key properties of N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide?
N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorobenzenesulfonamide has a molecular weight of 444.84 g/mol, XLogP of 5.29, 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]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 141280144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).