N-(benzenesulfonyl)-3-fluorobenzenesulfonamide

C12H10FNO4S2 — CID 170984094

IUPACN-(benzenesulfonyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NS(=O)(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C12H10FNO4S2/c13-10-5-4-8-12(9-10)20(17,18)14-19(15,16)11-6-2-1-3-7-11/h1-9,14H
InChIKeySHEHSLQZYHBRIT-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.49
Rot. Bonds4

About N-(benzenesulfonyl)-3-fluorobenzenesulfonamide

N-(benzenesulfonyl)-3-fluorobenzenesulfonamide (PubChem CID 170984094) has the molecular formula C12H10FNO4S2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-fluorobenzenesulfonamide
PubChem CID170984094
Molecular FormulaC12H10FNO4S2
Molecular Weight315.35 g/mol
Exact Mass315.00
IUPAC NameN-(benzenesulfonyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NS(=O)(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C12H10FNO4S2/c13-10-5-4-8-12(9-10)20(17,18)14-19(15,16)11-6-2-1-3-7-11/h1-9,14H
InChIKeySHEHSLQZYHBRIT-UHFFFAOYSA-N
XLogP1.49
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[cyano(phenyl)methyl]-3-fluorobenzenesulfonamide
CID 60707589
2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262307
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704
3-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724295
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-3-fluorobenzenesulfonamide (CID 170984094) is N-(benzenesulfonyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-3-fluorobenzenesulfonamide is O=S(=O)(NS(=O)(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-3-fluorobenzenesulfonamide?
The InChIKey is SHEHSLQZYHBRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4S2/c13-10-5-4-8-12(9-10)20(17,18)14-19(15,16)11-6-2-1-3-7-11/h1-9,14H.
What are the key properties of N-(benzenesulfonyl)-3-fluorobenzenesulfonamide?
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 170984094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).