3-amino-N-(4-bromophenyl)benzenesulfonamide

C12H11BrN2O2S — CID 3568545

IUPAC3-amino-N-(4-bromophenyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C12H11BrN2O2S/c13-9-4-6-11(7-5-9)15-18(16,17)12-3-1-2-10(14)8-12/h1-8,15H,14H2
InChIKeyZYTCICJMXGACNY-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.83
Rot. Bonds3

About 3-amino-N-(4-bromophenyl)benzenesulfonamide

3-amino-N-(4-bromophenyl)benzenesulfonamide (PubChem CID 3568545) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 3-amino-N-(4-bromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-bromophenyl)benzenesulfonamide
PubChem CID3568545
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name3-amino-N-(4-bromophenyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C12H11BrN2O2S/c13-9-4-6-11(7-5-9)15-18(16,17)12-3-1-2-10(14)8-12/h1-8,15H,14H2
InChIKeyZYTCICJMXGACNY-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.83
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-N-(4-bromophenyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(4-bromophenyl)benzenesulfonamide (CID 3568545) is 3-amino-N-(4-bromophenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-bromophenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-bromophenyl)benzenesulfonamide is Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-amino-N-(4-bromophenyl)benzenesulfonamide?
The InChIKey is ZYTCICJMXGACNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c13-9-4-6-11(7-5-9)15-18(16,17)12-3-1-2-10(14)8-12/h1-8,15H,14H2.
What are the key properties of 3-amino-N-(4-bromophenyl)benzenesulfonamide?
3-amino-N-(4-bromophenyl)benzenesulfonamide has a molecular weight of 327.20 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromophenyl)benzenesulfonamide is sourced from PubChem (CID 3568545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).