2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

C15H13Cl2FN2O3S — CID 78811687

IUPAC2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H13Cl2FN2O3S/c1-8(9-2-4-10(5-3-9)24(19,22)23)20-15(21)11-6-14(18)13(17)7-12(11)16/h2-8H,1H3,(H,20,21)(H2,19,22,23)
InChIKeyVKKQCKFNZUGNJB-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.27
Rot. Bonds4

About 2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 78811687) has the molecular formula C15H13Cl2FN2O3S and a molecular weight of 391.25 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID78811687
Molecular FormulaC15H13Cl2FN2O3S
Molecular Weight391.25 g/mol
Exact Mass390.00
IUPAC Name2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H13Cl2FN2O3S/c1-8(9-2-4-10(5-3-9)24(19,22)23)20-15(21)11-6-14(18)13(17)7-12(11)16/h2-8H,1H3,(H,20,21)(H2,19,22,23)
InChIKeyVKKQCKFNZUGNJB-UHFFFAOYSA-N
XLogP3.27
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213570
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
2,4-dichloro-5-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46436682
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
2,4-dichloro-5-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 18275060
4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 31136747
2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 2970246
2,4-dichloro-5-fluoro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 78810362
1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 75811590
2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 51247083
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8540898
5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618162

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (CID 78811687) is 2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is CC(NC(=O)c1cc(F)c(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is VKKQCKFNZUGNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O3S/c1-8(9-2-4-10(5-3-9)24(19,22)23)20-15(21)11-6-14(18)13(17)7-12(11)16/h2-8H,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 391.25 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 78811687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).