5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide

C27H23FN2O4S — CID 2330763

IUPAC5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H23FN2O4S/c1-19-7-16-25(35(32,33)30-23-10-8-21(28)9-11-23)17-26(19)27(31)29-22-12-14-24(15-13-22)34-18-20-5-3-2-4-6-20/h2-17,30H,18H2,1H3,(H,29,31)
InChIKeyRSGKKFSMBIITIF-UHFFFAOYSA-N
MW490.56 g/mol
LogP5.77
Rot. Bonds8

About 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide

5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 2330763) has the molecular formula C27H23FN2O4S and a molecular weight of 490.56 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID2330763
Molecular FormulaC27H23FN2O4S
Molecular Weight490.56 g/mol
Exact Mass490.14
IUPAC Name5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H23FN2O4S/c1-19-7-16-25(35(32,33)30-23-10-8-21(28)9-11-23)17-26(19)27(31)29-22-12-14-24(15-13-22)34-18-20-5-3-2-4-6-20/h2-17,30H,18H2,1H3,(H,29,31)
InChIKeyRSGKKFSMBIITIF-UHFFFAOYSA-N
XLogP5.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide (CID 2330763) is 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is RSGKKFSMBIITIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O4S/c1-19-7-16-25(35(32,33)30-23-10-8-21(28)9-11-23)17-26(19)27(31)29-22-12-14-24(15-13-22)34-18-20-5-3-2-4-6-20/h2-17,30H,18H2,1H3,(H,29,31).
What are the key properties of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide?
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 490.56 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 2330763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).