4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide

C20H14ClF3N2O3S — CID 2730887

IUPAC4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClF3N2O3S/c21-15-5-1-13(2-6-15)19(27)25-16-9-11-18(12-10-16)30(28,29)26-17-7-3-14(4-8-17)20(22,23)24/h1-12,26H,(H,25,27)
InChIKeyMWYLZLGCVRPRIY-UHFFFAOYSA-N
MW454.86 g/mol
LogP5.41
Rot. Bonds5

About 4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide

4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (PubChem CID 2730887) has the molecular formula C20H14ClF3N2O3S and a molecular weight of 454.86 g/mol. Its IUPAC name is 4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
PubChem CID2730887
Molecular FormulaC20H14ClF3N2O3S
Molecular Weight454.86 g/mol
Exact Mass454.04
IUPAC Name4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClF3N2O3S/c21-15-5-1-13(2-6-15)19(27)25-16-9-11-18(12-10-16)30(28,29)26-17-7-3-14(4-8-17)20(22,23)24/h1-12,26H,(H,25,27)
InChIKeyMWYLZLGCVRPRIY-UHFFFAOYSA-N
XLogP5.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.86
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3547100
N-[4-[5-(4-chlorophenyl)penta-2,4-dienoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 171380663
N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014553
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605
methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate
CID 21239301
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (CID 2730887) is 4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The InChIKey is MWYLZLGCVRPRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O3S/c21-15-5-1-13(2-6-15)19(27)25-16-9-11-18(12-10-16)30(28,29)26-17-7-3-14(4-8-17)20(22,23)24/h1-12,26H,(H,25,27).
What are the key properties of 4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide has a molecular weight of 454.86 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 2730887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).