2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide

C13H13FN2O4S2 — CID 2568330

IUPAC2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C13H13FN2O4S2/c1-15-21(17,18)11-8-6-10(7-9-11)16-22(19,20)13-5-3-2-4-12(13)14/h2-9,15-16H,1H3
InChIKeyMRXRBFLMYGWEQA-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.53
Rot. Bonds5

About 2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide

2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 2568330) has the molecular formula C13H13FN2O4S2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID2568330
Molecular FormulaC13H13FN2O4S2
Molecular Weight344.39 g/mol
Exact Mass344.03
IUPAC Name2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C13H13FN2O4S2/c1-15-21(17,18)11-8-6-10(7-9-11)16-22(19,20)13-5-3-2-4-12(13)14/h2-9,15-16H,1H3
InChIKeyMRXRBFLMYGWEQA-UHFFFAOYSA-N
XLogP1.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide (CID 2568330) is 2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is MRXRBFLMYGWEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S2/c1-15-21(17,18)11-8-6-10(7-9-11)16-22(19,20)13-5-3-2-4-12(13)14/h2-9,15-16H,1H3.
What are the key properties of 2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide?
2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2568330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).