3-amino-2-bromo-5-chlorobenzenesulfonamide

C6H6BrClN2O2S — CID 62956345

IUPAC3-amino-2-bromo-5-chlorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(N)(=O)=O)c1Br
InChIInChI=1S/C6H6BrClN2O2S/c7-6-4(9)1-3(8)2-5(6)13(10,11)12/h1-2H,9H2,(H2,10,11,12)
InChIKeyNTZGJJSOSFBJAJ-UHFFFAOYSA-N
MW285.55 g/mol
LogP1.33
Rot. Bonds1

About 3-amino-2-bromo-5-chlorobenzenesulfonamide

3-amino-2-bromo-5-chlorobenzenesulfonamide (PubChem CID 62956345) has the molecular formula C6H6BrClN2O2S and a molecular weight of 285.55 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chlorobenzenesulfonamide
PubChem CID62956345
Molecular FormulaC6H6BrClN2O2S
Molecular Weight285.55 g/mol
Exact Mass283.90
IUPAC Name3-amino-2-bromo-5-chlorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(N)(=O)=O)c1Br
InChIInChI=1S/C6H6BrClN2O2S/c7-6-4(9)1-3(8)2-5(6)13(10,11)12/h1-2H,9H2,(H2,10,11,12)
InChIKeyNTZGJJSOSFBJAJ-UHFFFAOYSA-N
XLogP1.33
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.55
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chlorobenzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chlorobenzenesulfonamide (CID 62956345) is 3-amino-2-bromo-5-chlorobenzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chlorobenzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chlorobenzenesulfonamide is Nc1cc(Cl)cc(S(N)(=O)=O)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chlorobenzenesulfonamide?
The InChIKey is NTZGJJSOSFBJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2O2S/c7-6-4(9)1-3(8)2-5(6)13(10,11)12/h1-2H,9H2,(H2,10,11,12).
What are the key properties of 3-amino-2-bromo-5-chlorobenzenesulfonamide?
3-amino-2-bromo-5-chlorobenzenesulfonamide has a molecular weight of 285.55 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chlorobenzenesulfonamide is sourced from PubChem (CID 62956345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).