N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide

C14H13IN2O3S — CID 3874122

IUPACN-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C14H13IN2O3S/c1-10(18)16-12-3-2-4-13(9-12)17-21(19,20)14-7-5-11(15)6-8-14/h2-9,17H,1H3,(H,16,18)
InChIKeyIHYMRZQRSXZONJ-UHFFFAOYSA-N
MW416.24 g/mol
LogP3.05
Rot. Bonds4

About N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide

N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 3874122) has the molecular formula C14H13IN2O3S and a molecular weight of 416.24 g/mol. Its IUPAC name is N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
PubChem CID3874122
Molecular FormulaC14H13IN2O3S
Molecular Weight416.24 g/mol
Exact Mass415.97
IUPAC NameN-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C14H13IN2O3S/c1-10(18)16-12-3-2-4-13(9-12)17-21(19,20)14-7-5-11(15)6-8-14/h2-9,17H,1H3,(H,16,18)
InChIKeyIHYMRZQRSXZONJ-UHFFFAOYSA-N
XLogP3.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.24
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 2114640
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906
N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
CID 4254070
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
methyl 3-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423389
N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 17388137
N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372
N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide
CID 45494447
N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862
N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986001
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide (CID 3874122) is N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(I)cc2)c1.
What is the InChIKey of N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is IHYMRZQRSXZONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O3S/c1-10(18)16-12-3-2-4-13(9-12)17-21(19,20)14-7-5-11(15)6-8-14/h2-9,17H,1H3,(H,16,18).
What are the key properties of N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide?
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 416.24 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 3874122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).