4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide

C13H13FN2O4S2 — CID 788811

IUPAC4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H13FN2O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18)
InChIKeyRXAAVLURIXEENO-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.95
Rot. Bonds5

About 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide

4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide (PubChem CID 788811) has the molecular formula C13H13FN2O4S2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide
PubChem CID788811
Molecular FormulaC13H13FN2O4S2
Molecular Weight344.39 g/mol
Exact Mass344.03
IUPAC Name4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H13FN2O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18)
InChIKeyRXAAVLURIXEENO-UHFFFAOYSA-N
XLogP0.95
TPSA106.33 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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide (CID 788811) is 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide?
The InChIKey is RXAAVLURIXEENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18).
What are the key properties of 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide?
4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 788811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).