5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide

C13H11ClFIN2O2S — CID 107624570

IUPAC5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccc(Cl)cc2I)c1F
InChIInChI=1S/C13H11ClFIN2O2S/c1-7-4-9(17)6-12(13(7)15)21(19,20)18-11-3-2-8(14)5-10(11)16/h2-6,18H,17H2,1H3
InChIKeyMHFRVKWGAINXHM-UHFFFAOYSA-N
MW440.67 g/mol
LogP3.78
Rot. Bonds3

About 5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide

5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide (PubChem CID 107624570) has the molecular formula C13H11ClFIN2O2S and a molecular weight of 440.67 g/mol. Its IUPAC name is 5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide
PubChem CID107624570
Molecular FormulaC13H11ClFIN2O2S
Molecular Weight440.67 g/mol
Exact Mass439.93
IUPAC Name5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccc(Cl)cc2I)c1F
InChIInChI=1S/C13H11ClFIN2O2S/c1-7-4-9(17)6-12(13(7)15)21(19,20)18-11-3-2-8(14)5-10(11)16/h2-6,18H,17H2,1H3
InChIKeyMHFRVKWGAINXHM-UHFFFAOYSA-N
XLogP3.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.67
LogP ≤ 53.78
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-4-methylbenzenesulfonamide
CID 107624631
3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide
CID 107624597
3-amino-N-(4-chloro-2-iodophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624621
5-amino-N-(4-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80628443
5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide
CID 79757817
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629045
5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629038
5-amino-2-fluoro-N-(3-fluoro-2-methylphenyl)-3-methylbenzenesulfonamide
CID 80629184
4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107624642
5-amino-N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645770

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide (CID 107624570) is 5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2ccc(Cl)cc2I)c1F.
What is the InChIKey of 5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide?
The InChIKey is MHFRVKWGAINXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFIN2O2S/c1-7-4-9(17)6-12(13(7)15)21(19,20)18-11-3-2-8(14)5-10(11)16/h2-6,18H,17H2,1H3.
What are the key properties of 5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide?
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide has a molecular weight of 440.67 g/mol, XLogP of 3.78, 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-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 107624570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).