3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide

C8H10F2N2O4S2 — CID 79090939

IUPAC3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NCC(F)F)c1
InChIInChI=1S/C8H10F2N2O4S2/c9-8(10)5-12-18(15,16)7-3-1-2-6(4-7)17(11,13)14/h1-4,8,12H,5H2,(H2,11,13,14)
InChIKeyVNRJIEBVCCCXHN-UHFFFAOYSA-N
MW300.31 g/mol
LogP-0.12
Rot. Bonds5

About 3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide

3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide (PubChem CID 79090939) has the molecular formula C8H10F2N2O4S2 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide
PubChem CID79090939
Molecular FormulaC8H10F2N2O4S2
Molecular Weight300.31 g/mol
Exact Mass300.01
IUPAC Name3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NCC(F)F)c1
InChIInChI=1S/C8H10F2N2O4S2/c9-8(10)5-12-18(15,16)7-3-1-2-6(4-7)17(11,13)14/h1-4,8,12H,5H2,(H2,11,13,14)
InChIKeyVNRJIEBVCCCXHN-UHFFFAOYSA-N
XLogP-0.12
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406483
benzene-1,3-disulfonamide
CID 3090044
3-N-(3-amino-2,2-difluoropropyl)benzene-1,3-disulfonamide
CID 114384038
N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
CID 115282992
3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide
CID 55511765
3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide
CID 49457332
3-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzene-1,3-disulfonamide
CID 55512101
3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405354
3-N-methoxybenzene-1,3-disulfonamide
CID 60713608
N-(2-methylpropyl)-3-methylsulfonylbenzenesulfonamide
CID 47154529
3-N-[2-(2-methylpropoxy)ethyl]benzene-1,3-disulfonamide
CID 115588283
3-N-pent-3-ynylbenzene-1,3-disulfonamide
CID 115978023

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide?
The IUPAC name of 3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide (CID 79090939) is 3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)NCC(F)F)c1.
What is the InChIKey of 3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide?
The InChIKey is VNRJIEBVCCCXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O4S2/c9-8(10)5-12-18(15,16)7-3-1-2-6(4-7)17(11,13)14/h1-4,8,12H,5H2,(H2,11,13,14).
What are the key properties of 3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide?
3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide has a molecular weight of 300.31 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide is sourced from PubChem (CID 79090939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).