2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide

C15H13Cl2FN2O3S — CID 27669089

IUPAC2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2FN2O3S/c1-20(2)24(22,23)10-5-3-9(4-6-10)19-15(21)11-7-14(18)13(17)8-12(11)16/h3-8H,1-2H3,(H,19,21)
InChIKeyZDOXTZPPCBVTNY-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.64
Rot. Bonds4

About 2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide

2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide (PubChem CID 27669089) has the molecular formula C15H13Cl2FN2O3S and a molecular weight of 391.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
PubChem CID27669089
Molecular FormulaC15H13Cl2FN2O3S
Molecular Weight391.25 g/mol
Exact Mass390.00
IUPAC Name2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2FN2O3S/c1-20(2)24(22,23)10-5-3-9(4-6-10)19-15(21)11-7-14(18)13(17)8-12(11)16/h3-8H,1-2H3,(H,19,21)
InChIKeyZDOXTZPPCBVTNY-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815
2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide
CID 16563331
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
CID 55771427
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 8698727
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide (CID 27669089) is 2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide is CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide?
The InChIKey is ZDOXTZPPCBVTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O3S/c1-20(2)24(22,23)10-5-3-9(4-6-10)19-15(21)11-7-14(18)13(17)8-12(11)16/h3-8H,1-2H3,(H,19,21).
What are the key properties of 2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide?
2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide has a molecular weight of 391.25 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide is sourced from PubChem (CID 27669089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).