4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide

C23H22F2N2O3S — CID 2730339

IUPAC4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C23H22F2N2O3S/c1-23(2,3)16-6-4-15(5-7-16)22(28)26-18-9-11-19(12-10-18)31(29,30)27-21-13-8-17(24)14-20(21)25/h4-14,27H,1-3H3,(H,26,28)
InChIKeyGGMLKQMHAFAJGI-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.32
Rot. Bonds5

About 4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide

4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide (PubChem CID 2730339) has the molecular formula C23H22F2N2O3S and a molecular weight of 444.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide
PubChem CID2730339
Molecular FormulaC23H22F2N2O3S
Molecular Weight444.50 g/mol
Exact Mass444.13
IUPAC Name4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C23H22F2N2O3S/c1-23(2,3)16-6-4-15(5-7-16)22(28)26-18-9-11-19(12-10-18)31(29,30)27-21-13-8-17(24)14-20(21)25/h4-14,27H,1-3H3,(H,26,28)
InChIKeyGGMLKQMHAFAJGI-UHFFFAOYSA-N
XLogP5.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514
N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide
CID 58639464
4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide
CID 109057942
4-[(2,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058529
N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3314659
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid
CID 12017247
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 177311382
4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid
CID 12017257

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide (CID 2730339) is 4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is GGMLKQMHAFAJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3S/c1-23(2,3)16-6-4-15(5-7-16)22(28)26-18-9-11-19(12-10-18)31(29,30)27-21-13-8-17(24)14-20(21)25/h4-14,27H,1-3H3,(H,26,28).
What are the key properties of 4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide?
4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 444.50 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 2730339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).