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

C13H8ClFINO3S — CID 43124846

IUPAC2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)c(F)c1)c1ccc(I)cc1
InChIInChI=1S/C13H8ClFINO3S/c14-21(19,20)12-6-5-10(7-11(12)15)17-13(18)8-1-3-9(16)4-2-8/h1-7H,(H,17,18)
InChIKeyUYCOYAAUSKZWJA-UHFFFAOYSA-N
MW439.63 g/mol
LogP3.61
Rot. Bonds3

About 2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride

2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride (PubChem CID 43124846) has the molecular formula C13H8ClFINO3S and a molecular weight of 439.63 g/mol. Its IUPAC name is 2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
PubChem CID43124846
Molecular FormulaC13H8ClFINO3S
Molecular Weight439.63 g/mol
Exact Mass438.89
IUPAC Name2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)c(F)c1)c1ccc(I)cc1
InChIInChI=1S/C13H8ClFINO3S/c14-21(19,20)12-6-5-10(7-11(12)15)17-13(18)8-1-3-9(16)4-2-8/h1-7H,(H,17,18)
InChIKeyUYCOYAAUSKZWJA-UHFFFAOYSA-N
XLogP3.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 53.61
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-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43111720
4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43100856
4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124844
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
N-(3-fluoro-4-sulfamoylphenyl)benzamide
CID 43246704
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride
CID 66128821
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide
CID 61130930
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride?
The IUPAC name of 2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride (CID 43124846) is 2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)c(F)c1)c1ccc(I)cc1.
What is the InChIKey of 2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride?
The InChIKey is UYCOYAAUSKZWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFINO3S/c14-21(19,20)12-6-5-10(7-11(12)15)17-13(18)8-1-3-9(16)4-2-8/h1-7H,(H,17,18).
What are the key properties of 2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride?
2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride has a molecular weight of 439.63 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 43124846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).