4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide

C22H18ClF3N2O3S — CID 126143258

IUPAC4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C22H18ClF3N2O3S/c1-32(30,31)28(14-15-5-3-2-4-6-15)18-10-7-16(8-11-18)21(29)27-20-13-17(22(24,25)26)9-12-19(20)23/h2-13H,14H2,1H3,(H,27,29)
InChIKeyVTGGTYOXLVYLPI-UHFFFAOYSA-N
MW482.91 g/mol
LogP5.58
Rot. Bonds6

About 4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide

4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 126143258) has the molecular formula C22H18ClF3N2O3S and a molecular weight of 482.91 g/mol. Its IUPAC name is 4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
PubChem CID126143258
Molecular FormulaC22H18ClF3N2O3S
Molecular Weight482.91 g/mol
Exact Mass482.07
IUPAC Name4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C22H18ClF3N2O3S/c1-32(30,31)28(14-15-5-3-2-4-6-15)18-10-7-16(8-11-18)21(29)27-20-13-17(22(24,25)26)9-12-19(20)23/h2-13H,14H2,1H3,(H,27,29)
InChIKeyVTGGTYOXLVYLPI-UHFFFAOYSA-N
XLogP5.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.91
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1317339
N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide
CID 108984887
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 126132614
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide
CID 1363267
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 126129121
4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
CID 1295557
1-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxopyridine-3-carboxamide
CID 8671010
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23761147
N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1357728
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 92649043
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 30128942
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide (CID 126143258) is 4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide is CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of 4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VTGGTYOXLVYLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O3S/c1-32(30,31)28(14-15-5-3-2-4-6-15)18-10-7-16(8-11-18)21(29)27-20-13-17(22(24,25)26)9-12-19(20)23/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of 4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide?
4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 482.91 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 126143258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).