4-amino-3-bromo-5-iodobenzenesulfonamide

C6H6BrIN2O2S — CID 11036198

IUPAC4-amino-3-bromo-5-iodobenzenesulfonamide
SMILESNc1c(Br)cc(S(N)(=O)=O)cc1I
InChIInChI=1S/C6H6BrIN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
InChIKeyDOLZXEMWQANNMS-UHFFFAOYSA-N
MW377.00 g/mol
LogP1.28
Rot. Bonds1

About 4-amino-3-bromo-5-iodobenzenesulfonamide

4-amino-3-bromo-5-iodobenzenesulfonamide (PubChem CID 11036198) has the molecular formula C6H6BrIN2O2S and a molecular weight of 377.00 g/mol. Its IUPAC name is 4-amino-3-bromo-5-iodobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-5-iodobenzenesulfonamide
PubChem CID11036198
Molecular FormulaC6H6BrIN2O2S
Molecular Weight377.00 g/mol
Exact Mass375.84
IUPAC Name4-amino-3-bromo-5-iodobenzenesulfonamide
SMILESNc1c(Br)cc(S(N)(=O)=O)cc1I
InChIInChI=1S/C6H6BrIN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
InChIKeyDOLZXEMWQANNMS-UHFFFAOYSA-N
XLogP1.28
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.00
LogP ≤ 51.28
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-5-iodobenzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-5-iodobenzenesulfonamide (CID 11036198) is 4-amino-3-bromo-5-iodobenzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-5-iodobenzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-5-iodobenzenesulfonamide is Nc1c(Br)cc(S(N)(=O)=O)cc1I.
What is the InChIKey of 4-amino-3-bromo-5-iodobenzenesulfonamide?
The InChIKey is DOLZXEMWQANNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrIN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12).
What are the key properties of 4-amino-3-bromo-5-iodobenzenesulfonamide?
4-amino-3-bromo-5-iodobenzenesulfonamide has a molecular weight of 377.00 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-5-iodobenzenesulfonamide is sourced from PubChem (CID 11036198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).