N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide

C21H17ClF3N3O3S — CID 2337124

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ncc(C(F)(F)F)cc3Cl)c2)c(C)c1
InChIInChI=1S/C21H17ClF3N3O3S/c1-12-6-7-18(13(2)8-12)28-32(30,31)16-5-3-4-14(9-16)20(29)27-19-17(22)10-15(11-26-19)21(23,24)25/h3-11,28H,1-2H3,(H,26,27,29)
InChIKeyOXZYWNKJIRFADF-UHFFFAOYSA-N
MW483.90 g/mol
LogP5.42
Rot. Bonds5

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 2337124) has the molecular formula C21H17ClF3N3O3S and a molecular weight of 483.90 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
PubChem CID2337124
Molecular FormulaC21H17ClF3N3O3S
Molecular Weight483.90 g/mol
Exact Mass483.06
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ncc(C(F)(F)F)cc3Cl)c2)c(C)c1
InChIInChI=1S/C21H17ClF3N3O3S/c1-12-6-7-18(13(2)8-12)28-32(30,31)16-5-3-4-14(9-16)20(29)27-19-17(22)10-15(11-26-19)21(23,24)25/h3-11,28H,1-2H3,(H,26,27,29)
InChIKeyOXZYWNKJIRFADF-UHFFFAOYSA-N
XLogP5.42
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.90
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109065763
N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]-3-methylbenzamide
CID 3072238
N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 23122623
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
CID 2341223
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
3,4-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 23122447
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062806
3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
CID 103768285
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (CID 2337124) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ncc(C(F)(F)F)cc3Cl)c2)c(C)c1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is OXZYWNKJIRFADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N3O3S/c1-12-6-7-18(13(2)8-12)28-32(30,31)16-5-3-4-14(9-16)20(29)27-19-17(22)10-15(11-26-19)21(23,24)25/h3-11,28H,1-2H3,(H,26,27,29).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 483.90 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2337124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).