4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide

C13H12ClIN2O2S — CID 107624554

IUPAC4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2I)ccc1N
InChIInChI=1S/C13H12ClIN2O2S/c1-8-6-10(3-4-12(8)16)20(18,19)17-13-5-2-9(14)7-11(13)15/h2-7,17H,16H2,1H3
InChIKeyGJCNJFGHWKCILN-UHFFFAOYSA-N
MW422.68 g/mol
LogP3.64
Rot. Bonds3

About 4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide

4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide (PubChem CID 107624554) has the molecular formula C13H12ClIN2O2S and a molecular weight of 422.68 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide
PubChem CID107624554
Molecular FormulaC13H12ClIN2O2S
Molecular Weight422.68 g/mol
Exact Mass421.94
IUPAC Name4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2I)ccc1N
InChIInChI=1S/C13H12ClIN2O2S/c1-8-6-10(3-4-12(8)16)20(18,19)17-13-5-2-9(14)7-11(13)15/h2-7,17H,16H2,1H3
InChIKeyGJCNJFGHWKCILN-UHFFFAOYSA-N
XLogP3.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.68
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-chloro-2-iodophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624621
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624631
4-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 62058293
4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide;4-chloro-2-iodoaniline
CID 159766624
N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
CID 103764001
4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107629608
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 104725769
4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 103763982
3-amino-4-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 115328687
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 107624570
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107626835

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide (CID 107624554) is 4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2I)ccc1N.
What is the InChIKey of 4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide?
The InChIKey is GJCNJFGHWKCILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2O2S/c1-8-6-10(3-4-12(8)16)20(18,19)17-13-5-2-9(14)7-11(13)15/h2-7,17H,16H2,1H3.
What are the key properties of 4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide?
4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide has a molecular weight of 422.68 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 107624554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).