4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide

C19H18ClF3N2O3S — CID 24679241

IUPAC4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C19H18ClF3N2O3S/c1-24-18(26)13-4-2-12(3-5-13)11-25(15-7-8-15)29(27,28)17-9-6-14(20)10-16(17)19(21,22)23/h2-6,9-10,15H,7-8,11H2,1H3,(H,24,26)
InChIKeyYECUVQDYQKVDSR-UHFFFAOYSA-N
MW446.88 g/mol
LogP4.07
Rot. Bonds6

About 4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide

4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide (PubChem CID 24679241) has the molecular formula C19H18ClF3N2O3S and a molecular weight of 446.88 g/mol. Its IUPAC name is 4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide
PubChem CID24679241
Molecular FormulaC19H18ClF3N2O3S
Molecular Weight446.88 g/mol
Exact Mass446.07
IUPAC Name4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C19H18ClF3N2O3S/c1-24-18(26)13-4-2-12(3-5-13)11-25(15-7-8-15)29(27,28)17-9-6-14(20)10-16(17)19(21,22)23/h2-6,9-10,15H,7-8,11H2,1H3,(H,24,26)
InChIKeyYECUVQDYQKVDSR-UHFFFAOYSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.88
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide
CID 24679248
4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 24679147
4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide
CID 24679199
4-[[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]-N-methylbenzamide
CID 24679207
4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542014
4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 37154016
4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 134018860
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 8815729
4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134018087
4-[cyclopropyl(ethyl)sulfamoyl]-N-methylbenzamide
CID 24679124
4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 79378408
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide (CID 24679241) is 4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide?
The InChIKey is YECUVQDYQKVDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O3S/c1-24-18(26)13-4-2-12(3-5-13)11-25(15-7-8-15)29(27,28)17-9-6-14(20)10-16(17)19(21,22)23/h2-6,9-10,15H,7-8,11H2,1H3,(H,24,26).
What are the key properties of 4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide?
4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide has a molecular weight of 446.88 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 24679241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).