N,N'-bis(4-fluorophenyl)methanedisulfonamide

C13H12F2N2O4S2 — CID 90121489

IUPACN,N'-bis(4-fluorophenyl)methanedisulfonamide
SMILESO=S(=O)(CS(=O)(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C13H12F2N2O4S2/c14-10-1-5-12(6-2-10)16-22(18,19)9-23(20,21)17-13-7-3-11(15)4-8-13/h1-8,16-17H,9H2
InChIKeyZTKDQGSOWPDERG-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.11
Rot. Bonds6

About N,N'-bis(4-fluorophenyl)methanedisulfonamide

N,N'-bis(4-fluorophenyl)methanedisulfonamide (PubChem CID 90121489) has the molecular formula C13H12F2N2O4S2 and a molecular weight of 362.38 g/mol. Its IUPAC name is N,N'-bis(4-fluorophenyl)methanedisulfonamide.

Molecular Properties

Compound NameN,N'-bis(4-fluorophenyl)methanedisulfonamide
PubChem CID90121489
Molecular FormulaC13H12F2N2O4S2
Molecular Weight362.38 g/mol
Exact Mass362.02
IUPAC NameN,N'-bis(4-fluorophenyl)methanedisulfonamide
SMILESO=S(=O)(CS(=O)(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C13H12F2N2O4S2/c14-10-1-5-12(6-2-10)16-22(18,19)9-23(20,21)17-13-7-3-11(15)4-8-13/h1-8,16-17H,9H2
InChIKeyZTKDQGSOWPDERG-UHFFFAOYSA-N
XLogP2.11
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973547
4-[(4-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841
N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
CID 60932275
N-(4-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973645
N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892291
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
N-(4-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 80503785
N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518586
4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide
CID 100785367
1,1-difluoro-N'-(4-fluorophenyl)methanedisulfonamide
CID 135320022
3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid
CID 43362487

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-fluorophenyl)methanedisulfonamide?
The IUPAC name of N,N'-bis(4-fluorophenyl)methanedisulfonamide (CID 90121489) is N,N'-bis(4-fluorophenyl)methanedisulfonamide.
What is the SMILES notation for N,N'-bis(4-fluorophenyl)methanedisulfonamide?
The canonical SMILES for N,N'-bis(4-fluorophenyl)methanedisulfonamide is O=S(=O)(CS(=O)(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1.
What is the InChIKey of N,N'-bis(4-fluorophenyl)methanedisulfonamide?
The InChIKey is ZTKDQGSOWPDERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O4S2/c14-10-1-5-12(6-2-10)16-22(18,19)9-23(20,21)17-13-7-3-11(15)4-8-13/h1-8,16-17H,9H2.
What are the key properties of N,N'-bis(4-fluorophenyl)methanedisulfonamide?
N,N'-bis(4-fluorophenyl)methanedisulfonamide has a molecular weight of 362.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-fluorophenyl)methanedisulfonamide is sourced from PubChem (CID 90121489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).