N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide

C14H13F3N2O2S — CID 3758461

IUPACN-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccncc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)12-1-3-13(4-2-12)22(20,21)19-10-7-11-5-8-18-9-6-11/h1-6,8-9,19H,7,10H2
InChIKeyWIFXLUAKDRCRDW-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.62
Rot. Bonds5

About N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide

N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 3758461) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID3758461
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC NameN-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccncc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)12-1-3-13(4-2-12)22(20,21)19-10-7-11-5-8-18-9-6-11/h1-6,8-9,19H,7,10H2
InChIKeyWIFXLUAKDRCRDW-UHFFFAOYSA-N
XLogP2.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 60915127
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide
CID 54944076
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 82844779
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904045
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 30329371
N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide
CID 90538003
3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 63288706
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene
CID 35302797
5-tert-butyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 4915934

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide (CID 3758461) is N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCc1ccncc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WIFXLUAKDRCRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c15-14(16,17)12-1-3-13(4-2-12)22(20,21)19-10-7-11-5-8-18-9-6-11/h1-6,8-9,19H,7,10H2.
What are the key properties of N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 330.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3758461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).