4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide

C14H12ClF3N2O2S — CID 134018087

IUPAC4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H12ClF3N2O2S/c1-20(9-10-4-6-19-7-5-10)23(21,22)13-3-2-11(15)8-12(13)14(16,17)18/h2-8H,9H2,1H3
InChIKeyNXRGTPFJSVPNCX-UHFFFAOYSA-N
MW364.78 g/mol
LogP3.57
Rot. Bonds4

About 4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 134018087) has the molecular formula C14H12ClF3N2O2S and a molecular weight of 364.78 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID134018087
Molecular FormulaC14H12ClF3N2O2S
Molecular Weight364.78 g/mol
Exact Mass364.03
IUPAC Name4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H12ClF3N2O2S/c1-20(9-10-4-6-19-7-5-10)23(21,22)13-3-2-11(15)8-12(13)14(16,17)18/h2-8H,9H2,1H3
InChIKeyNXRGTPFJSVPNCX-UHFFFAOYSA-N
XLogP3.57
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 79378408
2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420461
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47103942
2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 43564507
4-(aminomethyl)-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 79179205
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 8815729
2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 23988205
4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 134018860
2-amino-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61106855
N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 47020938
4-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47813014
N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 110724815

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 134018087) is 4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is CN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NXRGTPFJSVPNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2S/c1-20(9-10-4-6-19-7-5-10)23(21,22)13-3-2-11(15)8-12(13)14(16,17)18/h2-8H,9H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 364.78 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134018087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).