N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide

C19H14ClF3N2O2S — CID 52634275

IUPACN-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClF3N2O2S/c20-16-5-7-17(8-6-16)25(13-14-2-1-11-24-12-14)28(26,27)18-9-3-15(4-10-18)19(21,22)23/h1-12H,13H2
InChIKeyQDWVXAZPLFHDLV-UHFFFAOYSA-N
MW426.85 g/mol
LogP5.15
Rot. Bonds5

About N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide

N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 52634275) has the molecular formula C19H14ClF3N2O2S and a molecular weight of 426.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID52634275
Molecular FormulaC19H14ClF3N2O2S
Molecular Weight426.85 g/mol
Exact Mass426.04
IUPAC NameN-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClF3N2O2S/c20-16-5-7-17(8-6-16)25(13-14-2-1-11-24-12-14)28(26,27)18-9-3-15(4-10-18)19(21,22)23/h1-12H,13H2
InChIKeyQDWVXAZPLFHDLV-UHFFFAOYSA-N
XLogP5.15
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.85
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634270
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
CID 14720281
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide
CID 52708261
4-chloro-N-(4-chlorophenyl)-2-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52708249
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
ethyl 3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 60611098
4-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360477
2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634284
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 60540058
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360936
2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521664

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide (CID 52634275) is N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QDWVXAZPLFHDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2S/c20-16-5-7-17(8-6-16)25(13-14-2-1-11-24-12-14)28(26,27)18-9-3-15(4-10-18)19(21,22)23/h1-12H,13H2.
What are the key properties of N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 426.85 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 52634275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).