3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide

C23H21F2N3O4S — CID 24666950

IUPAC3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1F
InChIInChI=1S/C23H21F2N3O4S/c1-15-6-7-17(14-20(15)25)23(30)27-13-12-26-22(29)16-8-10-18(11-9-16)33(31,32)28-21-5-3-2-4-19(21)24/h2-11,14,28H,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKeySJTIKXPZTPAHCO-UHFFFAOYSA-N
MW473.50 g/mol
LogP3.23
Rot. Bonds8

About 3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide

3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide (PubChem CID 24666950) has the molecular formula C23H21F2N3O4S and a molecular weight of 473.50 g/mol. Its IUPAC name is 3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
PubChem CID24666950
Molecular FormulaC23H21F2N3O4S
Molecular Weight473.50 g/mol
Exact Mass473.12
IUPAC Name3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1F
InChIInChI=1S/C23H21F2N3O4S/c1-15-6-7-17(14-20(15)25)23(30)27-13-12-26-22(29)16-8-10-18(11-9-16)33(31,32)28-21-5-3-2-4-19(21)24/h2-11,14,28H,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKeySJTIKXPZTPAHCO-UHFFFAOYSA-N
XLogP3.23
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 34485319
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide
CID 27647283
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407931
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide
CID 43017074
4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 26846171
4-[(2-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24980882
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576215
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide
CID 109057942
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide (CID 24666950) is 3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1F.
What is the InChIKey of 3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide?
The InChIKey is SJTIKXPZTPAHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O4S/c1-15-6-7-17(14-20(15)25)23(30)27-13-12-26-22(29)16-8-10-18(11-9-16)33(31,32)28-21-5-3-2-4-19(21)24/h2-11,14,28H,12-13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide?
3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide has a molecular weight of 473.50 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 24666950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).