N-(benzenesulfonyl)-N-fluorobenzenesulfonamide

C12H10FNO4S2 — CID 588007

IUPACN-(benzenesulfonyl)-N-fluorobenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H
InChIKeyRLKHFSNWQCZBDC-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.95
Rot. Bonds4

About N-(benzenesulfonyl)-N-fluorobenzenesulfonamide

N-(benzenesulfonyl)-N-fluorobenzenesulfonamide (PubChem CID 588007) has the molecular formula C12H10FNO4S2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-fluorobenzenesulfonamide
PubChem CID588007
Molecular FormulaC12H10FNO4S2
Molecular Weight315.35 g/mol
Exact Mass315.00
IUPAC NameN-(benzenesulfonyl)-N-fluorobenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H
InChIKeyRLKHFSNWQCZBDC-UHFFFAOYSA-N
XLogP1.95
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-fluorobenzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-fluorobenzenesulfonamide (CID 588007) is N-(benzenesulfonyl)-N-fluorobenzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-fluorobenzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-fluorobenzenesulfonamide is O=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-fluorobenzenesulfonamide?
The InChIKey is RLKHFSNWQCZBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H.
What are the key properties of N-(benzenesulfonyl)-N-fluorobenzenesulfonamide?
N-(benzenesulfonyl)-N-fluorobenzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-fluorobenzenesulfonamide is sourced from PubChem (CID 588007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).