4-amino-3-(2,5-dibromoanilino)benzenesulfonamide

C12H11Br2N3O2S — CID 82907244

IUPAC4-amino-3-(2,5-dibromoanilino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Nc1cc(Br)ccc1Br
InChIInChI=1S/C12H11Br2N3O2S/c13-7-1-3-9(14)11(5-7)17-12-6-8(20(16,18)19)2-4-10(12)15/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyGXRLLHHGURTOBV-UHFFFAOYSA-N
MW421.11 g/mol
LogP3.18
Rot. Bonds3

About 4-amino-3-(2,5-dibromoanilino)benzenesulfonamide

4-amino-3-(2,5-dibromoanilino)benzenesulfonamide (PubChem CID 82907244) has the molecular formula C12H11Br2N3O2S and a molecular weight of 421.11 g/mol. Its IUPAC name is 4-amino-3-(2,5-dibromoanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2,5-dibromoanilino)benzenesulfonamide
PubChem CID82907244
Molecular FormulaC12H11Br2N3O2S
Molecular Weight421.11 g/mol
Exact Mass418.89
IUPAC Name4-amino-3-(2,5-dibromoanilino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Nc1cc(Br)ccc1Br
InChIInChI=1S/C12H11Br2N3O2S/c13-7-1-3-9(14)11(5-7)17-12-6-8(20(16,18)19)2-4-10(12)15/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyGXRLLHHGURTOBV-UHFFFAOYSA-N
XLogP3.18
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.11
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 55067874
4-amino-3-(5-bromo-4-fluoro-2-methylanilino)benzenesulfonamide
CID 107590941
4-amino-3-(4-iodoanilino)benzenesulfonamide
CID 82907832
4-amino-3-(2-fluoroanilino)benzenesulfonamide
CID 82907833
4-amino-3-(2-iodoanilino)benzenesulfonamide
CID 82907987
2-amino-4-(2,5-dibromoanilino)benzenesulfonamide
CID 79467601
4-amino-3-[(5-bromo-2-fluorophenyl)methylamino]benzenesulfonamide
CID 82900077
3-amino-4-(2-bromoanilino)benzenesulfonamide
CID 43330972
4-amino-3-(4-bromoanilino)-N-methylbenzenesulfonamide
CID 82899071
1-N-(2,5-dibromophenyl)-4-nitrobenzene-1,2-diamine
CID 62507466
4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide
CID 82900050
4-amino-3-(4-propylanilino)benzenesulfonamide
CID 82900056

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,5-dibromoanilino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(2,5-dibromoanilino)benzenesulfonamide (CID 82907244) is 4-amino-3-(2,5-dibromoanilino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2,5-dibromoanilino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(2,5-dibromoanilino)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1Nc1cc(Br)ccc1Br.
What is the InChIKey of 4-amino-3-(2,5-dibromoanilino)benzenesulfonamide?
The InChIKey is GXRLLHHGURTOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O2S/c13-7-1-3-9(14)11(5-7)17-12-6-8(20(16,18)19)2-4-10(12)15/h1-6,17H,15H2,(H2,16,18,19).
What are the key properties of 4-amino-3-(2,5-dibromoanilino)benzenesulfonamide?
4-amino-3-(2,5-dibromoanilino)benzenesulfonamide has a molecular weight of 421.11 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,5-dibromoanilino)benzenesulfonamide is sourced from PubChem (CID 82907244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).