4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide

C14H14I2N2O4S2 — CID 100820100

IUPAC4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C14H14I2N2O4S2/c15-11-1-5-13(6-2-11)23(19,20)17-9-10-18-24(21,22)14-7-3-12(16)4-8-14/h1-8,17-18H,9-10H2
InChIKeyPMRPSBDQSISHSC-UHFFFAOYSA-N
MW592.22 g/mol
LogP2.15
Rot. Bonds7

About 4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide

4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide (PubChem CID 100820100) has the molecular formula C14H14I2N2O4S2 and a molecular weight of 592.22 g/mol. Its IUPAC name is 4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
PubChem CID100820100
Molecular FormulaC14H14I2N2O4S2
Molecular Weight592.22 g/mol
Exact Mass591.85
IUPAC Name4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1ccc(I)cc1)c1ccc(I)cc1
InChIInChI=1S/C14H14I2N2O4S2/c15-11-1-5-13(6-2-11)23(19,20)17-9-10-18-24(21,22)14-7-3-12(16)4-8-14/h1-8,17-18H,9-10H2
InChIKeyPMRPSBDQSISHSC-UHFFFAOYSA-N
XLogP2.15
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.22
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663692
4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663707
N-[2-[bis(2-hydroxyethyl)amino]ethyl]-4-iodobenzenesulfonamide
CID 3562605
4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide
CID 130349628
4-iodo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 4988896
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
4-[(4-iodophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540438
N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
4-iodo-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607064
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
N-[(3,5-dichlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 3717692

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide (CID 100820100) is 4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide is O=S(=O)(NCCNS(=O)(=O)c1ccc(I)cc1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is PMRPSBDQSISHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14I2N2O4S2/c15-11-1-5-13(6-2-11)23(19,20)17-9-10-18-24(21,22)14-7-3-12(16)4-8-14/h1-8,17-18H,9-10H2.
What are the key properties of 4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide?
4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 592.22 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 100820100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).