4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide

C14H14FIN2O2S — CID 106029424

IUPAC4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cccc(I)c2)ccc1F
InChIInChI=1S/C14H14FIN2O2S/c1-17-9-10-7-13(5-6-14(10)15)21(19,20)18-12-4-2-3-11(16)8-12/h2-8,17-18H,9H2,1H3
InChIKeyFOHICZMWUWJPCS-UHFFFAOYSA-N
MW420.25 g/mol
LogP2.95
Rot. Bonds5

About 4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide

4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106029424) has the molecular formula C14H14FIN2O2S and a molecular weight of 420.25 g/mol. Its IUPAC name is 4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106029424
Molecular FormulaC14H14FIN2O2S
Molecular Weight420.25 g/mol
Exact Mass419.98
IUPAC Name4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cccc(I)c2)ccc1F
InChIInChI=1S/C14H14FIN2O2S/c1-17-9-10-7-13(5-6-14(10)15)21(19,20)18-12-4-2-3-11(16)8-12/h2-8,17-18H,9H2,1H3
InChIKeyFOHICZMWUWJPCS-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.25
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033379
2-fluoro-N-(3-iodophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106029453
4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084156
1-ethyl-N-(3-iodophenyl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106029526
3-(aminomethyl)-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 106029558
4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033343
3-chloro-N-(4-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106060808
3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide
CID 43124457
4-bromo-N-(3-iodophenyl)-3-methylbenzenesulfonamide
CID 60640765
3,4-diethoxy-N-(3-iodophenyl)benzenesulfonamide
CID 27658180
N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106029311
3-(aminomethyl)-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106061491

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide (CID 106029424) is 4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)Nc2cccc(I)c2)ccc1F.
What is the InChIKey of 4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is FOHICZMWUWJPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIN2O2S/c1-17-9-10-7-13(5-6-14(10)15)21(19,20)18-12-4-2-3-11(16)8-12/h2-8,17-18H,9H2,1H3.
What are the key properties of 4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide?
4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 420.25 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106029424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).