4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride

C13H9ClINO3S — CID 43124844

IUPAC4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(I)cc1
InChIInChI=1S/C13H9ClINO3S/c14-20(18,19)12-7-5-11(6-8-12)16-13(17)9-1-3-10(15)4-2-9/h1-8H,(H,16,17)
InChIKeyOJMKJRVRGLTFHJ-UHFFFAOYSA-N
MW421.64 g/mol
LogP3.47
Rot. Bonds3

About 4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride

4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride (PubChem CID 43124844) has the molecular formula C13H9ClINO3S and a molecular weight of 421.64 g/mol. Its IUPAC name is 4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
PubChem CID43124844
Molecular FormulaC13H9ClINO3S
Molecular Weight421.64 g/mol
Exact Mass420.90
IUPAC Name4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(I)cc1
InChIInChI=1S/C13H9ClINO3S/c14-20(18,19)12-7-5-11(6-8-12)16-13(17)9-1-3-10(15)4-2-9/h1-8H,(H,16,17)
InChIKeyOJMKJRVRGLTFHJ-UHFFFAOYSA-N
XLogP3.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.64
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124846
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 82873844
4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
CID 81290021
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide
CID 3955566
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride?
The IUPAC name of 4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride (CID 43124844) is 4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(I)cc1.
What is the InChIKey of 4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride?
The InChIKey is OJMKJRVRGLTFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClINO3S/c14-20(18,19)12-7-5-11(6-8-12)16-13(17)9-1-3-10(15)4-2-9/h1-8H,(H,16,17).
What are the key properties of 4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride?
4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride has a molecular weight of 421.64 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 43124844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).