N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide

C24H23F2N3O4S — CID 55526457

IUPACN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1
InChIInChI=1S/C24H23F2N3O4S/c1-24(2,3)23(31)28-18-6-4-5-15(13-18)22(30)27-16-7-9-17(10-8-16)29-34(32,33)19-11-12-20(25)21(26)14-19/h4-14,29H,1-3H3,(H,27,30)(H,28,31)
InChIKeyFKVAKXZRCCEJIA-UHFFFAOYSA-N
MW487.53 g/mol
LogP5.00
Rot. Bonds6

About N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 55526457) has the molecular formula C24H23F2N3O4S and a molecular weight of 487.53 g/mol. Its IUPAC name is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide
PubChem CID55526457
Molecular FormulaC24H23F2N3O4S
Molecular Weight487.53 g/mol
Exact Mass487.14
IUPAC NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1
InChIInChI=1S/C24H23F2N3O4S/c1-24(2,3)23(31)28-18-6-4-5-15(13-18)22(30)27-16-7-9-17(10-8-16)29-34(32,33)19-11-12-20(25)21(26)14-19/h4-14,29H,1-3H3,(H,27,30)(H,28,31)
InChIKeyFKVAKXZRCCEJIA-UHFFFAOYSA-N
XLogP5.00
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.53
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)benzamide
CID 5061186
3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
CID 35781376
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-2-phenylpropanamide
CID 55527551
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
N-(4-bromophenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 2374061
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide (CID 55526457) is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1.
What is the InChIKey of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is FKVAKXZRCCEJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O4S/c1-24(2,3)23(31)28-18-6-4-5-15(13-18)22(30)27-16-7-9-17(10-8-16)29-34(32,33)19-11-12-20(25)21(26)14-19/h4-14,29H,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide?
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 487.53 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 55526457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).