4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

C15H14F4N2O2S — CID 52746563

IUPAC4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H14F4N2O2S/c1-21(9-7-11-4-2-3-8-20-11)24(22,23)12-5-6-14(16)13(10-12)15(17,18)19/h2-6,8,10H,7,9H2,1H3
InChIKeyWFMMGXCONKCBSY-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.10
Rot. Bonds5

About 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 52746563) has the molecular formula C15H14F4N2O2S and a molecular weight of 362.35 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID52746563
Molecular FormulaC15H14F4N2O2S
Molecular Weight362.35 g/mol
Exact Mass362.07
IUPAC Name4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H14F4N2O2S/c1-21(9-7-11-4-2-3-8-20-11)24(22,23)12-5-6-14(16)13(10-12)15(17,18)19/h2-6,8,10H,7,9H2,1H3
InChIKeyWFMMGXCONKCBSY-UHFFFAOYSA-N
XLogP3.10
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724645
N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3588052
N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 52552426
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 55353222
4-chloro-N-(2-pyridin-2-ylethyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;hydrochloride
CID 134105796
N-(2-aminoethyl)-4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 62687721
5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 60660829
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 52746563) is 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is CN(CCc1ccccn1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WFMMGXCONKCBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2O2S/c1-21(9-7-11-4-2-3-8-20-11)24(22,23)12-5-6-14(16)13(10-12)15(17,18)19/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 362.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 52746563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).