5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide

C14H14FIN2O2S — CID 79757817

IUPAC5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccc(F)cc2I)c1C
InChIInChI=1S/C14H14FIN2O2S/c1-8-5-11(17)7-14(9(8)2)21(19,20)18-13-4-3-10(15)6-12(13)16/h3-7,18H,17H2,1-2H3
InChIKeyLMIMHQAYVJZOES-UHFFFAOYSA-N
MW420.25 g/mol
LogP3.43
Rot. Bonds3

About 5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide

5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 79757817) has the molecular formula C14H14FIN2O2S and a molecular weight of 420.25 g/mol. Its IUPAC name is 5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide
PubChem CID79757817
Molecular FormulaC14H14FIN2O2S
Molecular Weight420.25 g/mol
Exact Mass419.98
IUPAC Name5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccc(F)cc2I)c1C
InChIInChI=1S/C14H14FIN2O2S/c1-8-5-11(17)7-14(9(8)2)21(19,20)18-13-4-3-10(15)6-12(13)16/h3-7,18H,17H2,1-2H3
InChIKeyLMIMHQAYVJZOES-UHFFFAOYSA-N
XLogP3.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.25
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-(4-fluoro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 80640992
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 107624570
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide
CID 82843139
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79768613
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide
CID 79767137
5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 29040045
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624631
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide (CID 79757817) is 5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2ccc(F)cc2I)c1C.
What is the InChIKey of 5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is LMIMHQAYVJZOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIN2O2S/c1-8-5-11(17)7-14(9(8)2)21(19,20)18-13-4-3-10(15)6-12(13)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide?
5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 420.25 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 79757817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).