2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide

C14H13F3N2O2S — CID 23521664

IUPAC2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)11-22(20,21)19(13-6-2-1-3-7-13)10-12-5-4-8-18-9-12/h1-9H,10-11H2
InChIKeyURNCMCOJVUMHCF-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.98
Rot. Bonds5

About 2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide

2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 23521664) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID23521664
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)11-22(20,21)19(13-6-2-1-3-7-13)10-12-5-4-8-18-9-12/h1-9H,10-11H2
InChIKeyURNCMCOJVUMHCF-UHFFFAOYSA-N
XLogP2.98
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)phenyl]-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 90872302
2,2,2-trifluoro-N-(3-formylphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521656
2,2,2-trifluoro-N-(pyridin-3-ylmethyl)-N-[4-[2-(trideuteriomethoxy)phenoxy]phenyl]ethanesulfonamide
CID 162640433
N-[4-(2-cyanophenoxy)phenyl]-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521717
N-(4-fluorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360866
N-(3-chlorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360985
N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110360280
N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360388
ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 91055403
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
N-[3-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521708

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 23521664) is 2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide is O=S(=O)(CC(F)(F)F)N(Cc1cccnc1)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is URNCMCOJVUMHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c15-14(16,17)11-22(20,21)19(13-6-2-1-3-7-13)10-12-5-4-8-18-9-12/h1-9H,10-11H2.
What are the key properties of 2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide?
2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 330.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 23521664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).