4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide

C14H11ClINO3S — CID 103763982

IUPAC4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2I)cc1
InChIInChI=1S/C14H11ClINO3S/c1-9(18)10-2-5-12(6-3-10)21(19,20)17-14-7-4-11(15)8-13(14)16/h2-8,17H,1H3
InChIKeyJPPBRNWLTIESMX-UHFFFAOYSA-N
MW435.67 g/mol
LogP3.95
Rot. Bonds4

About 4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide

4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide (PubChem CID 103763982) has the molecular formula C14H11ClINO3S and a molecular weight of 435.67 g/mol. Its IUPAC name is 4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
PubChem CID103763982
Molecular FormulaC14H11ClINO3S
Molecular Weight435.67 g/mol
Exact Mass434.92
IUPAC Name4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2I)cc1
InChIInChI=1S/C14H11ClINO3S/c1-9(18)10-2-5-12(6-3-10)21(19,20)17-14-7-4-11(15)8-13(14)16/h2-8,17H,1H3
InChIKeyJPPBRNWLTIESMX-UHFFFAOYSA-N
XLogP3.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.67
LogP ≤ 53.95
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

N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
CID 103764001
4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107629608
4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 107624554
4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10387892
3-iodo-4-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169370314
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107630680
4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 82165414
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109
4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 7938770
N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107626835
4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide;4-chloro-2-iodoaniline
CID 159766624
4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide
CID 110777599

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide (CID 103763982) is 4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2I)cc1.
What is the InChIKey of 4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
The InChIKey is JPPBRNWLTIESMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClINO3S/c1-9(18)10-2-5-12(6-3-10)21(19,20)17-14-7-4-11(15)8-13(14)16/h2-8,17H,1H3.
What are the key properties of 4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide has a molecular weight of 435.67 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 103763982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).