N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide

C24H22ClF3N2O3S — CID 100726819

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1ccc(C)c(N(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H22ClF3N2O3S/c1-15-4-5-16(2)22(12-15)30(34(3,32)33)14-17-6-8-18(9-7-17)23(31)29-19-10-11-21(25)20(13-19)24(26,27)28/h4-13H,14H2,1-3H3,(H,29,31)
InChIKeyKENBJTJENBTNJQ-UHFFFAOYSA-N
MW510.97 g/mol
LogP6.19
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide (PubChem CID 100726819) has the molecular formula C24H22ClF3N2O3S and a molecular weight of 510.97 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
PubChem CID100726819
Molecular FormulaC24H22ClF3N2O3S
Molecular Weight510.97 g/mol
Exact Mass510.10
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1ccc(C)c(N(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H22ClF3N2O3S/c1-15-4-5-16(2)22(12-15)30(34(3,32)33)14-17-6-8-18(9-7-17)23(31)29-19-10-11-21(25)20(13-19)24(26,27)28/h4-13H,14H2,1-3H3,(H,29,31)
InChIKeyKENBJTJENBTNJQ-UHFFFAOYSA-N
XLogP6.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.97
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(4-ethoxyphenyl)benzamide
CID 53287885
N-(3-chloro-4-methylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100587658
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100571603
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 51342561
ethyl 2-chloro-5-[[4-[(4-methylphenyl)methyl-methylsulfonylamino]benzoyl]amino]benzoate
CID 92681248
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922194
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide
CID 53287919
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 26776083
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 2898694
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 53287557
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide (CID 100726819) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide is Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is KENBJTJENBTNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N2O3S/c1-15-4-5-16(2)22(12-15)30(34(3,32)33)14-17-6-8-18(9-7-17)23(31)29-19-10-11-21(25)20(13-19)24(26,27)28/h4-13H,14H2,1-3H3,(H,29,31).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 510.97 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 100726819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).