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

C14H13F3N2O3S — CID 2738794

IUPACN-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O3S/c15-14(16,17)22-12-4-6-13(7-5-12)23(20,21)19-10-8-11-3-1-2-9-18-11/h1-7,9,19H,8,10H2
InChIKeyNVUJMUBGXRHZHY-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.50
Rot. Bonds6

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

N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 2738794) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID2738794
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC NameN-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O3S/c15-14(16,17)22-12-4-6-13(7-5-12)23(20,21)19-10-8-11-3-1-2-9-18-11/h1-7,9,19H,8,10H2
InChIKeyNVUJMUBGXRHZHY-UHFFFAOYSA-N
XLogP2.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 10760373
CID 10760373
CID 688003
CID 688003
CID 778317
CID 778317
CID 809740
CID 809740
CID 676047
CID 676047
CID 729504
CID 729504
CID 831626
CID 831626
CID 46703770
CID 46703770
CID 741472
CID 741472
CID 741474
CID 741474
CID 850011
CID 850011
CID 2424901
CID 2424901

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 2738794) is N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCc1ccccn1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is NVUJMUBGXRHZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c15-14(16,17)22-12-4-6-13(7-5-12)23(20,21)19-10-8-11-3-1-2-9-18-11/h1-7,9,19H,8,10H2.
What are the key properties of N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 346.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 2738794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).