2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide

C15H14ClF3N2O2S — CID 3588052

IUPAC2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H14ClF3N2O2S/c1-21(9-7-12-4-2-3-8-20-12)24(22,23)14-10-11(15(17,18)19)5-6-13(14)16/h2-6,8,10H,7,9H2,1H3
InChIKeyRYEZDHBSRBSWGL-UHFFFAOYSA-N
MW378.80 g/mol
LogP3.62
Rot. Bonds5

About 2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 3588052) has the molecular formula C15H14ClF3N2O2S and a molecular weight of 378.80 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID3588052
Molecular FormulaC15H14ClF3N2O2S
Molecular Weight378.80 g/mol
Exact Mass378.04
IUPAC Name2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H14ClF3N2O2S/c1-21(9-7-12-4-2-3-8-20-12)24(22,23)14-10-11(15(17,18)19)5-6-13(14)16/h2-6,8,10H,7,9H2,1H3
InChIKeyRYEZDHBSRBSWGL-UHFFFAOYSA-N
XLogP3.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.80
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115319032
N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 52552426
2-chloro-4-cyano-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 75475340
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 52746563
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 60660829
N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
CID 176872849
4-chloro-N-(2-pyridin-2-ylethyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;hydrochloride
CID 134105796
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115902653
2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 43069632
2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 3528675

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide (CID 3588052) is 2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide is CN(CCc1ccccn1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RYEZDHBSRBSWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O2S/c1-21(9-7-12-4-2-3-8-20-12)24(22,23)14-10-11(15(17,18)19)5-6-13(14)16/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 378.80 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3588052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).