N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide

C12H9IN2O5S — CID 142985344

IUPACN-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)I)c(Oc2ccccc2)c1
InChIInChI=1S/C12H9IN2O5S/c13-21(18,19)14-11-7-6-9(15(16)17)8-12(11)20-10-4-2-1-3-5-10/h1-8,14H
InChIKeyALJXYYMDLMEELV-UHFFFAOYSA-N
MW420.18 g/mol
LogP3.48
Rot. Bonds5

About N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide

N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide (PubChem CID 142985344) has the molecular formula C12H9IN2O5S and a molecular weight of 420.18 g/mol. Its IUPAC name is N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide.

Molecular Properties

Compound NameN-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide
PubChem CID142985344
Molecular FormulaC12H9IN2O5S
Molecular Weight420.18 g/mol
Exact Mass419.93
IUPAC NameN-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)I)c(Oc2ccccc2)c1
InChIInChI=1S/C12H9IN2O5S/c13-21(18,19)14-11-7-6-9(15(16)17)8-12(11)20-10-4-2-1-3-5-10/h1-8,14H
InChIKeyALJXYYMDLMEELV-UHFFFAOYSA-N
XLogP3.48
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.18
LogP ≤ 53.48
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

potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
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N-methyl-4-nitro-2-phenoxyaniline
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2-acetyloxybenzoic acid;N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
CID 11329271
3-(5-nitro-2-phenoxyphenyl)-2-oxopropanoic acid
CID 134869534
azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum
CID 153281757
N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide
CID 90518275
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591
4-nitro-1-phenoxy-2-phenylmethoxybenzene
CID 139434061
methanamine;methylsulfonyl-(4-nitro-2-phenoxyphenyl)sulfamic acid
CID 11704440
N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide
CID 91441095
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4142655

Frequently Asked Questions

What is the IUPAC name of N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide?
The IUPAC name of N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide (CID 142985344) is N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide.
What is the SMILES notation for N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide?
The canonical SMILES for N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide is O=[N+]([O-])c1ccc(NS(=O)(=O)I)c(Oc2ccccc2)c1.
What is the InChIKey of N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide?
The InChIKey is ALJXYYMDLMEELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN2O5S/c13-21(18,19)14-11-7-6-9(15(16)17)8-12(11)20-10-4-2-1-3-5-10/h1-8,14H.
What are the key properties of N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide?
N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide has a molecular weight of 420.18 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide is sourced from PubChem (CID 142985344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).