N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide

C14H9IN2O4S — CID 56582438

IUPACN-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
SMILESO=C1NC(=O)c2cc(S(=O)(=O)Nc3cccc(I)c3)ccc21
InChIInChI=1S/C14H9IN2O4S/c15-8-2-1-3-9(6-8)17-22(20,21)10-4-5-11-12(7-10)14(19)16-13(11)18/h1-7,17H,(H,16,18,19)
InChIKeyNRKLHAUNFMFWNP-UHFFFAOYSA-N
MW428.21 g/mol
LogP1.98
Rot. Bonds3

About N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide

N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 56582438) has the molecular formula C14H9IN2O4S and a molecular weight of 428.21 g/mol. Its IUPAC name is N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
PubChem CID56582438
Molecular FormulaC14H9IN2O4S
Molecular Weight428.21 g/mol
Exact Mass427.93
IUPAC NameN-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
SMILESO=C1NC(=O)c2cc(S(=O)(=O)Nc3cccc(I)c3)ccc21
InChIInChI=1S/C14H9IN2O4S/c15-8-2-1-3-9(6-8)17-22(20,21)10-4-5-11-12(7-10)14(19)16-13(11)18/h1-7,17H,(H,16,18,19)
InChIKeyNRKLHAUNFMFWNP-UHFFFAOYSA-N
XLogP1.98
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.21
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea
CID 56560659
4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 973584
N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56582602
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820442
N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 56582632
N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 95234534
3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide
CID 43124457
4-bromo-N-(3-iodophenyl)-3-methylbenzenesulfonamide
CID 60640765
3,4-diethoxy-N-(3-iodophenyl)benzenesulfonamide
CID 27658180
1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide
CID 98986189
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
3-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 25335262

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide (CID 56582438) is N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide is O=C1NC(=O)c2cc(S(=O)(=O)Nc3cccc(I)c3)ccc21.
What is the InChIKey of N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is NRKLHAUNFMFWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O4S/c15-8-2-1-3-9(6-8)17-22(20,21)10-4-5-11-12(7-10)14(19)16-13(11)18/h1-7,17H,(H,16,18,19).
What are the key properties of N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide?
N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 428.21 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 56582438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).