2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide

C16H14ClF3N2O3S — CID 38890994

IUPAC2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C16H14ClF3N2O3S/c1-10-6-7-11(17)8-14(10)26(24,25)22-13-5-3-2-4-12(13)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyMIULSSVDYRSYAX-UHFFFAOYSA-N
MW406.81 g/mol
LogP3.74
Rot. Bonds5

About 2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide

2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 38890994) has the molecular formula C16H14ClF3N2O3S and a molecular weight of 406.81 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID38890994
Molecular FormulaC16H14ClF3N2O3S
Molecular Weight406.81 g/mol
Exact Mass406.04
IUPAC Name2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C16H14ClF3N2O3S/c1-10-6-7-11(17)8-14(10)26(24,25)22-13-5-3-2-4-12(13)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyMIULSSVDYRSYAX-UHFFFAOYSA-N
XLogP3.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.81
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 8843582
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 112770794
dimethyl 2-[[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 24502350
2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 42113234
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24502358
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2333532
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 8843607
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 100715266
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 24502280
5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606096
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (CID 38890994) is 2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MIULSSVDYRSYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O3S/c1-10-6-7-11(17)8-14(10)26(24,25)22-13-5-3-2-4-12(13)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23).
What are the key properties of 2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 406.81 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 38890994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).