N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

C21H18ClFN2O3S — CID 19062615

IUPACN-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)cc1
InChIInChI=1S/C21H18ClFN2O3S/c1-13-3-8-17(9-4-13)29(27,28)25-20-11-15(6-5-14(20)2)21(26)24-16-7-10-19(23)18(22)12-16/h3-12,25H,1-2H3,(H,24,26)
InChIKeyXKXAGDCKFDRWBJ-UHFFFAOYSA-N
MW432.90 g/mol
LogP5.15
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 19062615) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID19062615
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)cc1
InChIInChI=1S/C21H18ClFN2O3S/c1-13-3-8-17(9-4-13)29(27,28)25-20-11-15(6-5-14(20)2)21(26)24-16-7-10-19(23)18(22)12-16/h3-12,25H,1-2H3,(H,24,26)
InChIKeyXKXAGDCKFDRWBJ-UHFFFAOYSA-N
XLogP5.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.90
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062594
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169371323
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
4-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892609
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062619
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 19062615) is N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is XKXAGDCKFDRWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-13-3-8-17(9-4-13)29(27,28)25-20-11-15(6-5-14(20)2)21(26)24-16-7-10-19(23)18(22)12-16/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 432.90 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 19062615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).