N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide

C20H15Cl2FN2O3S — CID 2334103

IUPACN-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H15Cl2FN2O3S/c1-12-8-15(23)6-7-19(12)29(27,28)25-18-5-3-2-4-17(18)20(26)24-16-10-13(21)9-14(22)11-16/h2-11,25H,1H3,(H,24,26)
InChIKeyXVRDHTLKMPKGDO-UHFFFAOYSA-N
MW453.32 g/mol
LogP5.49
Rot. Bonds5

About N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide

N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide (PubChem CID 2334103) has the molecular formula C20H15Cl2FN2O3S and a molecular weight of 453.32 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide
PubChem CID2334103
Molecular FormulaC20H15Cl2FN2O3S
Molecular Weight453.32 g/mol
Exact Mass452.02
IUPAC NameN-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H15Cl2FN2O3S/c1-12-8-15(23)6-7-19(12)29(27,28)25-18-5-3-2-4-17(18)20(26)24-16-10-13(21)9-14(22)11-16/h2-11,25H,1H3,(H,24,26)
InChIKeyXVRDHTLKMPKGDO-UHFFFAOYSA-N
XLogP5.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.32
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2333532
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16619625
2-[(2-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 7941056
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide
CID 119386020
N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119504864
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide
CID 120829039
N-(3-amino-2-methylpropyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119998287
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4672075
2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569504
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4213074
(1-amino-1-oxopropan-2-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55316027

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide (CID 2334103) is N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide?
The InChIKey is XVRDHTLKMPKGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O3S/c1-12-8-15(23)6-7-19(12)29(27,28)25-18-5-3-2-4-17(18)20(26)24-16-10-13(21)9-14(22)11-16/h2-11,25H,1H3,(H,24,26).
What are the key properties of N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide?
N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide has a molecular weight of 453.32 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2334103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).