3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide

C13H13FN2O4S2 — CID 49186407

IUPAC3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
SMILESCNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C13H13FN2O4S2/c1-15-21(17,18)12-6-3-7-13(9-12)22(19,20)16-11-5-2-4-10(14)8-11/h2-9,15-16H,1H3
InChIKeyUZASMEYMSUULAH-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.53
Rot. Bonds5

About 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide

3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide (PubChem CID 49186407) has the molecular formula C13H13FN2O4S2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
PubChem CID49186407
Molecular FormulaC13H13FN2O4S2
Molecular Weight344.39 g/mol
Exact Mass344.03
IUPAC Name3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
SMILESCNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C13H13FN2O4S2/c1-15-21(17,18)12-6-3-7-13(9-12)22(19,20)16-11-5-2-4-10(14)8-11/h2-9,15-16H,1H3
InChIKeyUZASMEYMSUULAH-UHFFFAOYSA-N
XLogP1.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186982
1-N-methyl-3-N-(4-methylphenyl)benzene-1,3-disulfonamide
CID 49186392
3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide
CID 97337885
3-(3,4-dichlorophenyl)sulfonyl-N-(3-fluorophenyl)benzenesulfonamide
CID 134089881
4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
CID 7938634
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62142755
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide?
The IUPAC name of 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide (CID 49186407) is 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide is CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide?
The InChIKey is UZASMEYMSUULAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S2/c1-15-21(17,18)12-6-3-7-13(9-12)22(19,20)16-11-5-2-4-10(14)8-11/h2-9,15-16H,1H3.
What are the key properties of 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide?
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide has a molecular weight of 344.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide is sourced from PubChem (CID 49186407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).