N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide

C22H20BrFN2O3S — CID 4119863

IUPACN-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C22H20BrFN2O3S/c1-3-26(16-8-6-7-15(2)13-16)30(28,29)17-11-12-20(24)18(14-17)22(27)25-21-10-5-4-9-19(21)23/h4-14H,3H2,1-2H3,(H,25,27)
InChIKeyIXOWWJFQFXIRGE-UHFFFAOYSA-N
MW491.38 g/mol
LogP5.36
Rot. Bonds6

About N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide

N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide (PubChem CID 4119863) has the molecular formula C22H20BrFN2O3S and a molecular weight of 491.38 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
PubChem CID4119863
Molecular FormulaC22H20BrFN2O3S
Molecular Weight491.38 g/mol
Exact Mass490.04
IUPAC NameN-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C22H20BrFN2O3S/c1-3-26(16-8-6-7-15(2)13-16)30(28,29)17-11-12-20(24)18(14-17)22(27)25-21-10-5-4-9-19(21)23/h4-14H,3H2,1-2H3,(H,25,27)
InChIKeyIXOWWJFQFXIRGE-UHFFFAOYSA-N
XLogP5.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.38
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide?
The IUPAC name of N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide (CID 4119863) is N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide.
What is the SMILES notation for N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide?
The canonical SMILES for N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide is CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide?
The InChIKey is IXOWWJFQFXIRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrFN2O3S/c1-3-26(16-8-6-7-15(2)13-16)30(28,29)17-11-12-20(24)18(14-17)22(27)25-21-10-5-4-9-19(21)23/h4-14H,3H2,1-2H3,(H,25,27).
What are the key properties of N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide?
N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide has a molecular weight of 491.38 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide is sourced from PubChem (CID 4119863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).