N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide

C27H25F2N3O5S — CID 2247556

IUPACN-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C27H25F2N3O5S/c1-30(2)38(36,37)20-12-9-18(10-13-20)25(33)31(24-14-11-19(28)17-23(24)29)15-5-6-16-32-26(34)21-7-3-4-8-22(21)27(32)35/h3-4,7-14,17H,5-6,15-16H2,1-2H3
InChIKeyJAPFYVSCDIDDRJ-UHFFFAOYSA-N
MW541.58 g/mol
LogP3.94
Rot. Bonds9

About N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide

N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide (PubChem CID 2247556) has the molecular formula C27H25F2N3O5S and a molecular weight of 541.58 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide
PubChem CID2247556
Molecular FormulaC27H25F2N3O5S
Molecular Weight541.58 g/mol
Exact Mass541.15
IUPAC NameN-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C27H25F2N3O5S/c1-30(2)38(36,37)20-12-9-18(10-13-20)25(33)31(24-14-11-19(28)17-23(24)29)15-5-6-16-32-26(34)21-7-3-4-8-22(21)27(32)35/h3-4,7-14,17H,5-6,15-16H2,1-2H3
InChIKeyJAPFYVSCDIDDRJ-UHFFFAOYSA-N
XLogP3.94
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.58
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-(2,4-difluorophenyl)benzamide;titanium
CID 174382924
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide
CID 4682355
N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-fluoro-N-(2-methylphenyl)benzamide
CID 4222452
4-(1,3-dioxoisoindol-2-yl)butyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 31437953
4-chloro-N-(2,5-difluorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)propoxy-phenylmethyl]benzenesulfonamide
CID 22275492
4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide
CID 3914689
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 4013315
N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide
CID 2296999
N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide
CID 2582016
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide
CID 3383532
N-benzyl-4-(dimethylsulfamoyl)-N-phenylbenzamide
CID 26731454

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide (CID 2247556) is N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide?
The InChIKey is JAPFYVSCDIDDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O5S/c1-30(2)38(36,37)20-12-9-18(10-13-20)25(33)31(24-14-11-19(28)17-23(24)29)15-5-6-16-32-26(34)21-7-3-4-8-22(21)27(32)35/h3-4,7-14,17H,5-6,15-16H2,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide?
N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide has a molecular weight of 541.58 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide is sourced from PubChem (CID 2247556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).