5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide

C13H13IN2O3S — CID 43124455

IUPAC5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)Nc1cccc(I)c1
InChIInChI=1S/C13H13IN2O3S/c1-19-12-6-5-10(15)8-13(12)20(17,18)16-11-4-2-3-9(14)7-11/h2-8,16H,15H2,1H3
InChIKeyIUJBFVFBBWWIMC-UHFFFAOYSA-N
MW404.23 g/mol
LogP2.68
Rot. Bonds4

About 5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide

5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide (PubChem CID 43124455) has the molecular formula C13H13IN2O3S and a molecular weight of 404.23 g/mol. Its IUPAC name is 5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide
PubChem CID43124455
Molecular FormulaC13H13IN2O3S
Molecular Weight404.23 g/mol
Exact Mass403.97
IUPAC Name5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)Nc1cccc(I)c1
InChIInChI=1S/C13H13IN2O3S/c1-19-12-6-5-10(15)8-13(12)20(17,18)16-11-4-2-3-9(14)7-11/h2-8,16H,15H2,1H3
InChIKeyIUJBFVFBBWWIMC-UHFFFAOYSA-N
XLogP2.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.23
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 29267050
N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 35971820
5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587497
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527
5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 29042708
5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
CID 43662937
4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
CID 43257540
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 79961698

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide (CID 43124455) is 5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)Nc1cccc(I)c1.
What is the InChIKey of 5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is IUJBFVFBBWWIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O3S/c1-19-12-6-5-10(15)8-13(12)20(17,18)16-11-4-2-3-9(14)7-11/h2-8,16H,15H2,1H3.
What are the key properties of 5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide?
5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 404.23 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43124455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).