2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C16H14ClF3N2O4S — CID 46536488

IUPAC2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCCONC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C16H14ClF3N2O4S/c1-2-26-21-15(23)13-9-12(6-7-14(13)17)27(24,25)22-11-5-3-4-10(8-11)16(18,19)20/h3-9,22H,2H2,1H3,(H,21,23)
InChIKeyUMQCXSBFXNDCCU-UHFFFAOYSA-N
MW422.81 g/mol
LogP3.84
Rot. Bonds6

About 2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 46536488) has the molecular formula C16H14ClF3N2O4S and a molecular weight of 422.81 g/mol. Its IUPAC name is 2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID46536488
Molecular FormulaC16H14ClF3N2O4S
Molecular Weight422.81 g/mol
Exact Mass422.03
IUPAC Name2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCCONC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C16H14ClF3N2O4S/c1-2-26-21-15(23)13-9-12(6-7-14(13)17)27(24,25)22-11-5-3-4-10(8-11)16(18,19)20/h3-9,22H,2H2,1H3,(H,21,23)
InChIKeyUMQCXSBFXNDCCU-UHFFFAOYSA-N
XLogP3.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.81
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-pentan-2-yl-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 43019696
N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 30880179
4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 55868940
2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 5203374
N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 33101820
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344302
2-chloro-5-(dimethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1310378
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 2646121
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 46536488) is 2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is CCONC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl.
What is the InChIKey of 2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is UMQCXSBFXNDCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O4S/c1-2-26-21-15(23)13-9-12(6-7-14(13)17)27(24,25)22-11-5-3-4-10(8-11)16(18,19)20/h3-9,22H,2H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 422.81 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 46536488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).