N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide

C20H13Cl2F3N2O4S — CID 135379015

IUPACN-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H13Cl2F3N2O4S/c21-12-8-9-18(16(22)10-12)26-19(28)15-6-1-2-7-17(15)27-32(29,30)14-5-3-4-13(11-14)31-20(23,24)25/h1-11,27H,(H,26,28)
InChIKeyQBLZRHGJTHFRSG-UHFFFAOYSA-N
MW505.30 g/mol
LogP5.95
Rot. Bonds6

About N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide

N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide (PubChem CID 135379015) has the molecular formula C20H13Cl2F3N2O4S and a molecular weight of 505.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
PubChem CID135379015
Molecular FormulaC20H13Cl2F3N2O4S
Molecular Weight505.30 g/mol
Exact Mass503.99
IUPAC NameN-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H13Cl2F3N2O4S/c21-12-8-9-18(16(22)10-12)26-19(28)15-6-1-2-7-17(15)27-32(29,30)14-5-3-4-13(11-14)31-20(23,24)25/h1-11,27H,(H,26,28)
InChIKeyQBLZRHGJTHFRSG-UHFFFAOYSA-N
XLogP5.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.30
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933
N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 46102118
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)sulfonylamino]benzamide
CID 158200671
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034927
2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 10183345
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate
CID 92679847
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
N-[2-[(3,4,5-trichloroanilino)methyl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 171344003

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide (CID 135379015) is N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
The InChIKey is QBLZRHGJTHFRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O4S/c21-12-8-9-18(16(22)10-12)26-19(28)15-6-1-2-7-17(15)27-32(29,30)14-5-3-4-13(11-14)31-20(23,24)25/h1-11,27H,(H,26,28).
What are the key properties of N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide has a molecular weight of 505.30 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 135379015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).