3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide

C13H12ClIN2O2S — CID 43124650

IUPAC3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2ccccc2I)cc1Cl
InChIInChI=1S/C13H12ClIN2O2S/c1-8-10(14)6-9(7-12(8)16)20(18,19)17-13-5-3-2-4-11(13)15/h2-7,17H,16H2,1H3
InChIKeyCBRUVSUCJCWQJM-UHFFFAOYSA-N
MW422.68 g/mol
LogP3.64
Rot. Bonds3

About 3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide

3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide (PubChem CID 43124650) has the molecular formula C13H12ClIN2O2S and a molecular weight of 422.68 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide
PubChem CID43124650
Molecular FormulaC13H12ClIN2O2S
Molecular Weight422.68 g/mol
Exact Mass421.94
IUPAC Name3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2ccccc2I)cc1Cl
InChIInChI=1S/C13H12ClIN2O2S/c1-8-10(14)6-9(7-12(8)16)20(18,19)17-13-5-3-2-4-11(13)15/h2-7,17H,16H2,1H3
InChIKeyCBRUVSUCJCWQJM-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-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 29298879
3-amino-5-chloro-N-(4-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 61107975
3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide
CID 106503720
2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide
CID 43256705
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
N-(2-iodophenyl)benzenesulfonamide
CID 632219
3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 29297863
3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 28529159
3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 28536061
3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904150
5-bromo-3-chloro-2-hydroxy-N-(2-iodophenyl)benzenesulfonamide
CID 146619015

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide (CID 43124650) is 3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)Nc2ccccc2I)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide?
The InChIKey is CBRUVSUCJCWQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2O2S/c1-8-10(14)6-9(7-12(8)16)20(18,19)17-13-5-3-2-4-11(13)15/h2-7,17H,16H2,1H3.
What are the key properties of 3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-(2-iodophenyl)-4-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 3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43124650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).