4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C14H13F3N2O2S — CID 75449046

IUPAC4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccncc2)cc1
InChIInChI=1S/C14H13F3N2O2S/c1-11-2-4-13(5-3-11)22(20,21)19(10-14(15,16)17)12-6-8-18-9-7-12/h2-9H,10H2,1H3
InChIKeyDOMSYHCTSDNIOE-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.15
Rot. Bonds4

About 4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 75449046) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is 4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID75449046
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccncc2)cc1
InChIInChI=1S/C14H13F3N2O2S/c1-11-2-4-13(5-3-11)22(20,21)19(10-14(15,16)17)12-6-8-18-9-7-12/h2-9H,10H2,1H3
InChIKeyDOMSYHCTSDNIOE-UHFFFAOYSA-N
XLogP3.15
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356
2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 163543244
N-[4-(2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 127029953
2-[(4-methylphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258315
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 92661473
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 115257828
N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide
CID 142673074
N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 69007007
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N,N-diethylpyridin-4-amine;4-methylbenzenesulfonic acid
CID 173208450
4-[benzenesulfonyl(2,2,2-trifluoroethyl)amino]benzamide
CID 72724687

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 75449046) is 4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccncc2)cc1.
What is the InChIKey of 4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is DOMSYHCTSDNIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-11-2-4-13(5-3-11)22(20,21)19(10-14(15,16)17)12-6-8-18-9-7-12/h2-9H,10H2,1H3.
What are the key properties of 4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 330.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pyridin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 75449046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).