2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide

C12H10BrIN2O2S — CID 54888660

IUPAC2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)Nc1cccc(I)c1
InChIInChI=1S/C12H10BrIN2O2S/c13-8-4-5-11(15)12(6-8)19(17,18)16-10-3-1-2-9(14)7-10/h1-7,16H,15H2
InChIKeyUKZPTWXUDQTWTQ-UHFFFAOYSA-N
MW453.10 g/mol
LogP3.44
Rot. Bonds3

About 2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide

2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide (PubChem CID 54888660) has the molecular formula C12H10BrIN2O2S and a molecular weight of 453.10 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide
PubChem CID54888660
Molecular FormulaC12H10BrIN2O2S
Molecular Weight453.10 g/mol
Exact Mass451.87
IUPAC Name2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)Nc1cccc(I)c1
InChIInChI=1S/C12H10BrIN2O2S/c13-8-4-5-11(15)12(6-8)19(17,18)16-10-3-1-2-9(14)7-10/h1-7,16H,15H2
InChIKeyUKZPTWXUDQTWTQ-UHFFFAOYSA-N
XLogP3.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.10
LogP ≤ 53.44
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

2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61167481
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
CID 60823302
4-bromo-2-chloro-N-(3-iodophenyl)benzenesulfonamide
CID 60640731
2-amino-5-bromo-N-(3-iodophenyl)pyridine-3-sulfonamide
CID 55043820
2-amino-5-bromo-N-(3-ethynylphenyl)benzenesulfonamide
CID 61111211
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
2-amino-5-bromo-N-(2-bromo-6-fluorophenyl)benzenesulfonamide
CID 107596358
2-amino-5-bromo-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106491258
2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide
CID 62057135
6-bromo-N-(3-iodophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 60605016
3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide
CID 43124457
5-(aminomethyl)-3-bromo-N-(3-iodophenyl)-2-methylbenzenesulfonamide
CID 106029454

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide (CID 54888660) is 2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide is Nc1ccc(Br)cc1S(=O)(=O)Nc1cccc(I)c1.
What is the InChIKey of 2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide?
The InChIKey is UKZPTWXUDQTWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2O2S/c13-8-4-5-11(15)12(6-8)19(17,18)16-10-3-1-2-9(14)7-10/h1-7,16H,15H2.
What are the key properties of 2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide?
2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide has a molecular weight of 453.10 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 54888660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).