3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide

C14H15FN2O4S2 — CID 49186982

IUPAC3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide
SMILESCNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2C)c1
InChIInChI=1S/C14H15FN2O4S2/c1-10-8-11(15)6-7-14(10)17-23(20,21)13-5-3-4-12(9-13)22(18,19)16-2/h3-9,16-17H,1-2H3
InChIKeyMATYNDFHJGGUGK-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.84
Rot. Bonds5

About 3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide

3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide (PubChem CID 49186982) has the molecular formula C14H15FN2O4S2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide
PubChem CID49186982
Molecular FormulaC14H15FN2O4S2
Molecular Weight358.42 g/mol
Exact Mass358.05
IUPAC Name3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide
SMILESCNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2C)c1
InChIInChI=1S/C14H15FN2O4S2/c1-10-8-11(15)6-7-14(10)17-23(20,21)13-5-3-4-12(9-13)22(18,19)16-2/h3-9,16-17H,1-2H3
InChIKeyMATYNDFHJGGUGK-UHFFFAOYSA-N
XLogP1.84
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62144375
N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144203
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 43455060
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
N-(4-fluoro-2-methylphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 7980566

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide?
The IUPAC name of 3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide (CID 49186982) is 3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide is CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2C)c1.
What is the InChIKey of 3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide?
The InChIKey is MATYNDFHJGGUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S2/c1-10-8-11(15)6-7-14(10)17-23(20,21)13-5-3-4-12(9-13)22(18,19)16-2/h3-9,16-17H,1-2H3.
What are the key properties of 3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide?
3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide has a molecular weight of 358.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide is sourced from PubChem (CID 49186982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).