3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide

C23H22ClFN2O5S — CID 2085572

IUPAC3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(F)ccc3C)ccc2C)cc1Cl
InChIInChI=1S/C23H22ClFN2O5S/c1-13-6-8-16(25)10-18(13)26-23(28)15-7-5-14(2)22(9-15)33(29,30)27-19-11-17(24)20(31-3)12-21(19)32-4/h5-12,27H,1-4H3,(H,26,28)
InChIKeyPWSKHILWFFBNHC-UHFFFAOYSA-N
MW492.96 g/mol
LogP5.17
Rot. Bonds7

About 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide

3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide (PubChem CID 2085572) has the molecular formula C23H22ClFN2O5S and a molecular weight of 492.96 g/mol. Its IUPAC name is 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide
PubChem CID2085572
Molecular FormulaC23H22ClFN2O5S
Molecular Weight492.96 g/mol
Exact Mass492.09
IUPAC Name3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(F)ccc3C)ccc2C)cc1Cl
InChIInChI=1S/C23H22ClFN2O5S/c1-13-6-8-16(25)10-18(13)26-23(28)15-7-5-14(2)22(9-15)33(29,30)27-19-11-17(24)20(31-3)12-21(19)32-4/h5-12,27H,1-4H3,(H,26,28)
InChIKeyPWSKHILWFFBNHC-UHFFFAOYSA-N
XLogP5.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.96
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 4795153
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
CID 17459398
[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 25037645
4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55867170
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 55948650
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 25046576
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 55596967
N-(5-chloro-2-hydroxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 56581281
N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2687808
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 25409088

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide (CID 2085572) is 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide is COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(F)ccc3C)ccc2C)cc1Cl.
What is the InChIKey of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide?
The InChIKey is PWSKHILWFFBNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O5S/c1-13-6-8-16(25)10-18(13)26-23(28)15-7-5-14(2)22(9-15)33(29,30)27-19-11-17(24)20(31-3)12-21(19)32-4/h5-12,27H,1-4H3,(H,26,28).
What are the key properties of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide?
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide has a molecular weight of 492.96 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 2085572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).