5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide

C24H25FN2O5S — CID 30502190

IUPAC5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)Nc2cccc(C(C)C)c2)c1OC
InChIInChI=1S/C24H25FN2O5S/c1-15(2)16-8-7-9-17(12-16)26-24(28)19-13-18(14-22(31-3)23(19)32-4)33(29,30)27-21-11-6-5-10-20(21)25/h5-15,27H,1-4H3,(H,26,28)
InChIKeyWICMORBUEXSULA-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.02
Rot. Bonds8

About 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide

5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 30502190) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
PubChem CID30502190
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC Name5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)Nc2cccc(C(C)C)c2)c1OC
InChIInChI=1S/C24H25FN2O5S/c1-15(2)16-8-7-9-17(12-16)26-24(28)19-13-18(14-22(31-3)23(19)32-4)33(29,30)27-21-11-6-5-10-20(21)25/h5-15,27H,1-4H3,(H,26,28)
InChIKeyWICMORBUEXSULA-UHFFFAOYSA-N
XLogP5.02
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 27364829
N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide
CID 41104484
3-(dimethylaminocarbamoyl)-N-(2-fluorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 9163771
N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide
CID 9295134
[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoate
CID 98384330
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoate
CID 98384329
5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 41080971
N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 46598946
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 38707307
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 69347102

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide (CID 30502190) is 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide is COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)Nc2cccc(C(C)C)c2)c1OC.
What is the InChIKey of 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is WICMORBUEXSULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-15(2)16-8-7-9-17(12-16)26-24(28)19-13-18(14-22(31-3)23(19)32-4)33(29,30)27-21-11-6-5-10-20(21)25/h5-15,27H,1-4H3,(H,26,28).
What are the key properties of 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide?
5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 472.54 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 30502190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).