3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide

C21H18ClFN2O3S — CID 18892770

IUPAC3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1C
InChIInChI=1S/C21H18ClFN2O3S/c1-13-5-3-8-19(14(13)2)25-29(27,28)17-9-10-20(18(23)12-17)24-21(26)15-6-4-7-16(22)11-15/h3-12,25H,1-2H3,(H,24,26)
InChIKeyMDYBNBLZJDUMIB-UHFFFAOYSA-N
MW432.90 g/mol
LogP5.15
Rot. Bonds5

About 3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide

3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide (PubChem CID 18892770) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is 3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
PubChem CID18892770
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC Name3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1C
InChIInChI=1S/C21H18ClFN2O3S/c1-13-5-3-8-19(14(13)2)25-29(27,28)17-9-10-20(18(23)12-17)24-21(26)15-6-4-7-16(22)11-15/h3-12,25H,1-2H3,(H,24,26)
InChIKeyMDYBNBLZJDUMIB-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

3-chloro-N-[2-fluoro-4-[(2-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 18892781
3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
CID 18892877
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610
3-chloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
CID 18892779
3-chloro-N-[4-[(3,4-dichlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892799
N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427
N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide
CID 18892739
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-fluoro-2-methylphenyl)benzamide
CID 7908370
4-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892609
3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 18892761
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide (CID 18892770) is 3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1C.
What is the InChIKey of 3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The InChIKey is MDYBNBLZJDUMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-13-5-3-8-19(14(13)2)25-29(27,28)17-9-10-20(18(23)12-17)24-21(26)15-6-4-7-16(22)11-15/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
3-chloro-N-[4-[(2,3-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 3-chloro-N-[4-[(2,3-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide is sourced from PubChem (CID 18892770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).