N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide

C13H11IN2O5S — CID 35971820

IUPACN-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(I)c1
InChIInChI=1S/C13H11IN2O5S/c1-21-12-6-5-11(16(17)18)8-13(12)22(19,20)15-10-4-2-3-9(14)7-10/h2-8,15H,1H3
InChIKeyISGYJUJDCAIDLU-UHFFFAOYSA-N
MW434.21 g/mol
LogP3.01
Rot. Bonds5

About N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide

N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide (PubChem CID 35971820) has the molecular formula C13H11IN2O5S and a molecular weight of 434.21 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide
PubChem CID35971820
Molecular FormulaC13H11IN2O5S
Molecular Weight434.21 g/mol
Exact Mass433.94
IUPAC NameN-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(I)c1
InChIInChI=1S/C13H11IN2O5S/c1-21-12-6-5-11(16(17)18)8-13(12)22(19,20)15-10-4-2-3-9(14)7-10/h2-8,15H,1H3
InChIKeyISGYJUJDCAIDLU-UHFFFAOYSA-N
XLogP3.01
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8822400
N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide
CID 43124455
N-(3,4-diethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8823324
N-(4-chloro-3-nitrophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18268802
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
2-methoxy-5-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide
CID 24650358
N-(4-butan-2-ylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18092817
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18092796
2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
CID 166747844
2-methoxy-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
CID 55985401
4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 94618191

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide?
The IUPAC name of N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide (CID 35971820) is N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide?
The InChIKey is ISGYJUJDCAIDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O5S/c1-21-12-6-5-11(16(17)18)8-13(12)22(19,20)15-10-4-2-3-9(14)7-10/h2-8,15H,1H3.
What are the key properties of N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide?
N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide has a molecular weight of 434.21 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide is sourced from PubChem (CID 35971820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).