2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide

C23H23FN2O5S — CID 5044565

IUPAC2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3cc(C)ccc3OC)c2)cc1
InChIInChI=1S/C23H23FN2O5S/c1-15-4-11-22(31-3)21(12-15)26-23(27)19-13-18(9-10-20(19)24)32(28,29)25-14-16-5-7-17(30-2)8-6-16/h4-13,25H,14H2,1-3H3,(H,26,27)
InChIKeySFURGNYSBLJKMO-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.88
Rot. Bonds8

About 2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide

2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide (PubChem CID 5044565) has the molecular formula C23H23FN2O5S and a molecular weight of 458.51 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
PubChem CID5044565
Molecular FormulaC23H23FN2O5S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC Name2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3cc(C)ccc3OC)c2)cc1
InChIInChI=1S/C23H23FN2O5S/c1-15-4-11-22(31-3)21(12-15)26-23(27)19-13-18(9-10-20(19)24)32(28,29)25-14-16-5-7-17(30-2)8-6-16/h4-13,25H,14H2,1-3H3,(H,26,27)
InChIKeySFURGNYSBLJKMO-UHFFFAOYSA-N
XLogP3.88
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3476916
4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide
CID 5213752
N-(2,5-dimethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 4609696
N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide
CID 4611034
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4169421
2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
CID 18892919
N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 55932340
N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 4193197
5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550879

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide?
The IUPAC name of 2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide (CID 5044565) is 2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide is COc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3cc(C)ccc3OC)c2)cc1.
What is the InChIKey of 2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide?
The InChIKey is SFURGNYSBLJKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5S/c1-15-4-11-22(31-3)21(12-15)26-23(27)19-13-18(9-10-20(19)24)32(28,29)25-14-16-5-7-17(30-2)8-6-16/h4-13,25H,14H2,1-3H3,(H,26,27).
What are the key properties of 2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide?
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide has a molecular weight of 458.51 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 5044565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).