5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide

C17H12ClFN2O4S — CID 72948339

IUPAC5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide
SMILESNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc3ccccc3c2)cc1F
InChIInChI=1S/C17H12ClFN2O4S/c18-14-8-13(17(22)21-26(20,23)24)15(19)9-16(14)25-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,21,22)(H2,20,23,24)
InChIKeyQDSBWEOXPUGESA-UHFFFAOYSA-N
MW394.81 g/mol
LogP3.36
Rot. Bonds4

About 5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide

5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide (PubChem CID 72948339) has the molecular formula C17H12ClFN2O4S and a molecular weight of 394.81 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide
PubChem CID72948339
Molecular FormulaC17H12ClFN2O4S
Molecular Weight394.81 g/mol
Exact Mass394.02
IUPAC Name5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide
SMILESNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc3ccccc3c2)cc1F
InChIInChI=1S/C17H12ClFN2O4S/c18-14-8-13(17(22)21-26(20,23)24)15(19)9-16(14)25-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,21,22)(H2,20,23,24)
InChIKeyQDSBWEOXPUGESA-UHFFFAOYSA-N
XLogP3.36
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide?
The IUPAC name of 5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide (CID 72948339) is 5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide is NS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc3ccccc3c2)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide?
The InChIKey is QDSBWEOXPUGESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O4S/c18-14-8-13(17(22)21-26(20,23)24)15(19)9-16(14)25-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,21,22)(H2,20,23,24).
What are the key properties of 5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide?
5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide has a molecular weight of 394.81 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-naphthalen-2-yloxy-N-sulfamoylbenzamide is sourced from PubChem (CID 72948339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).