N-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide

C17H17F3N2O6S2 — CID 68766453

IUPACN-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide
SMILESNS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1cccc(COCCC(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O6S2/c18-17(19,20)8-9-28-11-12-4-3-5-13(10-12)16(23)22-30(26,27)15-7-2-1-6-14(15)29(21,24)25/h1-7,10H,8-9,11H2,(H,22,23)(H2,21,24,25)
InChIKeyQUNNQIUMPGTATL-UHFFFAOYSA-N
MW466.46 g/mol
LogP1.92
Rot. Bonds8

About N-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide

N-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide (PubChem CID 68766453) has the molecular formula C17H17F3N2O6S2 and a molecular weight of 466.46 g/mol. Its IUPAC name is N-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide
PubChem CID68766453
Molecular FormulaC17H17F3N2O6S2
Molecular Weight466.46 g/mol
Exact Mass466.05
IUPAC NameN-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide
SMILESNS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1cccc(COCCC(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O6S2/c18-17(19,20)8-9-28-11-12-4-3-5-13(10-12)16(23)22-30(26,27)15-7-2-1-6-14(15)29(21,24)25/h1-7,10H,8-9,11H2,(H,22,23)(H2,21,24,25)
InChIKeyQUNNQIUMPGTATL-UHFFFAOYSA-N
XLogP1.92
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide?
The IUPAC name of N-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide (CID 68766453) is N-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide.
What is the SMILES notation for N-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide?
The canonical SMILES for N-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide is NS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1cccc(COCCC(F)(F)F)c1.
What is the InChIKey of N-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide?
The InChIKey is QUNNQIUMPGTATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O6S2/c18-17(19,20)8-9-28-11-12-4-3-5-13(10-12)16(23)22-30(26,27)15-7-2-1-6-14(15)29(21,24)25/h1-7,10H,8-9,11H2,(H,22,23)(H2,21,24,25).
What are the key properties of N-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide?
N-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide has a molecular weight of 466.46 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylphenyl)sulfonyl-3-(3,3,3-trifluoropropoxymethyl)benzamide is sourced from PubChem (CID 68766453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).