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

C14H14ClIN2O2S — CID 107605493

IUPAC3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2Cl)cc1N
InChIInChI=1S/C14H14ClIN2O2S/c1-2-9-3-5-11(8-13(9)17)21(19,20)18-14-6-4-10(16)7-12(14)15/h3-8,18H,2,17H2,1H3
InChIKeyJVNYYJBKGNHBSG-UHFFFAOYSA-N
MW436.70 g/mol
LogP3.89
Rot. Bonds4

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

3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide (PubChem CID 107605493) has the molecular formula C14H14ClIN2O2S and a molecular weight of 436.70 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide
PubChem CID107605493
Molecular FormulaC14H14ClIN2O2S
Molecular Weight436.70 g/mol
Exact Mass435.95
IUPAC Name3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2Cl)cc1N
InChIInChI=1S/C14H14ClIN2O2S/c1-2-9-3-5-11(8-13(9)17)21(19,20)18-14-6-4-10(16)7-12(14)15/h3-8,18H,2,17H2,1H3
InChIKeyJVNYYJBKGNHBSG-UHFFFAOYSA-N
XLogP3.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.70
LogP ≤ 53.89
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

N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107606873
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106006523
3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
CID 43257631
N-(2-chloro-4-iodophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 107605710
2-(aminomethyl)-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006776
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide
CID 106006619
N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 107605731
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide (CID 107605493) is 3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(I)cc2Cl)cc1N.
What is the InChIKey of 3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide?
The InChIKey is JVNYYJBKGNHBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O2S/c1-2-9-3-5-11(8-13(9)17)21(19,20)18-14-6-4-10(16)7-12(14)15/h3-8,18H,2,17H2,1H3.
What are the key properties of 3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide?
3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide has a molecular weight of 436.70 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 107605493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).