5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide

C22H21FN2O3S — CID 5222310

IUPAC5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2F)cc1C
InChIInChI=1S/C22H21FN2O3S/c1-15-8-9-18(12-16(15)2)25-22(26)20-13-19(10-11-21(20)23)29(27,28)24-14-17-6-4-3-5-7-17/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyJDPYBXTVUGQWMF-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.17
Rot. Bonds6

About 5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide

5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide (PubChem CID 5222310) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
PubChem CID5222310
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2F)cc1C
InChIInChI=1S/C22H21FN2O3S/c1-15-8-9-18(12-16(15)2)25-22(26)20-13-19(10-11-21(20)23)29(27,28)24-14-17-6-4-3-5-7-17/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyJDPYBXTVUGQWMF-UHFFFAOYSA-N
XLogP4.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide (CID 5222310) is 5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2F)cc1C.
What is the InChIKey of 5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide?
The InChIKey is JDPYBXTVUGQWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-15-8-9-18(12-16(15)2)25-22(26)20-13-19(10-11-21(20)23)29(27,28)24-14-17-6-4-3-5-7-17/h3-13,24H,14H2,1-2H3,(H,25,26).
What are the key properties of 5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide?
5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide has a molecular weight of 412.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 5222310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).