4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide

C21H18ClFN2O3S — CID 18892610

IUPAC4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C21H18ClFN2O3S/c1-13-4-3-5-14(2)20(13)25-29(27,28)17-10-11-19(18(23)12-17)24-21(26)15-6-8-16(22)9-7-15/h3-12,25H,1-2H3,(H,24,26)
InChIKeyVNHHDDKYDUHNGR-UHFFFAOYSA-N
MW432.90 g/mol
LogP5.15
Rot. Bonds5

About 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide

4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide (PubChem CID 18892610) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
PubChem CID18892610
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC Name4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C21H18ClFN2O3S/c1-13-4-3-5-14(2)20(13)25-29(27,28)17-10-11-19(18(23)12-17)24-21(26)15-6-8-16(22)9-7-15/h3-12,25H,1-2H3,(H,24,26)
InChIKeyVNHHDDKYDUHNGR-UHFFFAOYSA-N
XLogP5.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.90
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
4-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892609
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 109061758
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892770
4-chloro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892649
4-chloro-N-[4-(cyclopentylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892580
4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892724
3-chloro-N-[2-fluoro-4-[(2-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 18892781
4-chloro-N-[4-(cyclohexylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892581
N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
CID 26696432
N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide
CID 5158295

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide (CID 18892610) is 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The InChIKey is VNHHDDKYDUHNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-13-4-3-5-14(2)20(13)25-29(27,28)17-10-11-19(18(23)12-17)24-21(26)15-6-8-16(22)9-7-15/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide has a molecular weight of 432.90 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide is sourced from PubChem (CID 18892610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).