3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide

C12H11FN2O4S2 — CID 4233399

IUPAC3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C12H11FN2O4S2/c13-9-4-6-11(7-5-9)21(18,19)15-10-2-1-3-12(8-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
InChIKeyWZNHYKMKYGTCAW-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.27
Rot. Bonds4

About 3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide

3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide (PubChem CID 4233399) has the molecular formula C12H11FN2O4S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide
PubChem CID4233399
Molecular FormulaC12H11FN2O4S2
Molecular Weight330.36 g/mol
Exact Mass330.01
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C12H11FN2O4S2/c13-9-4-6-11(7-5-9)21(18,19)15-10-2-1-3-12(8-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
InChIKeyWZNHYKMKYGTCAW-UHFFFAOYSA-N
XLogP1.27
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide (CID 4233399) is 3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide is NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is WZNHYKMKYGTCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S2/c13-9-4-6-11(7-5-9)21(18,19)15-10-2-1-3-12(8-10)20(14,16)17/h1-8,15H,(H2,14,16,17).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide?
3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 330.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 4233399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).