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

C22H18ClF3N2O3S — CID 1317339

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C22H18ClF3N2O3S/c1-32(30,31)28(18-5-3-2-4-6-18)14-15-7-9-16(10-8-15)21(29)27-20-13-17(22(24,25)26)11-12-19(20)23/h2-13H,14H2,1H3,(H,27,29)
InChIKeyIHYQFLQETYDJBG-UHFFFAOYSA-N
MW482.91 g/mol
LogP5.58
Rot. Bonds6

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide (PubChem CID 1317339) has the molecular formula C22H18ClF3N2O3S and a molecular weight of 482.91 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
PubChem CID1317339
Molecular FormulaC22H18ClF3N2O3S
Molecular Weight482.91 g/mol
Exact Mass482.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C22H18ClF3N2O3S/c1-32(30,31)28(18-5-3-2-4-6-18)14-15-7-9-16(10-8-15)21(29)27-20-13-17(22(24,25)26)11-12-19(20)23/h2-13H,14H2,1H3,(H,27,29)
InChIKeyIHYQFLQETYDJBG-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

4-[benzyl(methylsulfonyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
CID 126143258
2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide
CID 23821515
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 126129121
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
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
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-[3-[methyl(methylsulfonyl)amino]phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1319509
methyl 4-chloro-3-[[4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 100731085
ethyl 3-chloro-4-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 28637033

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide (CID 1317339) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide is CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is IHYQFLQETYDJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O3S/c1-32(30,31)28(18-5-3-2-4-6-18)14-15-7-9-16(10-8-15)21(29)27-20-13-17(22(24,25)26)11-12-19(20)23/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]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 N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 1317339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).