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

C12H11Br2N3O2S — CID 79467601

IUPAC2-amino-4-(2,5-dibromoanilino)benzenesulfonamide
SMILESNc1cc(Nc2cc(Br)ccc2Br)ccc1S(N)(=O)=O
InChIInChI=1S/C12H11Br2N3O2S/c13-7-1-3-9(14)11(5-7)17-8-2-4-12(10(15)6-8)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyYCEIYEGRQNEAPW-UHFFFAOYSA-N
MW421.11 g/mol
LogP3.18
Rot. Bonds3

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

2-amino-4-(2,5-dibromoanilino)benzenesulfonamide (PubChem CID 79467601) has the molecular formula C12H11Br2N3O2S and a molecular weight of 421.11 g/mol. Its IUPAC name is 2-amino-4-(2,5-dibromoanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2,5-dibromoanilino)benzenesulfonamide
PubChem CID79467601
Molecular FormulaC12H11Br2N3O2S
Molecular Weight421.11 g/mol
Exact Mass418.89
IUPAC Name2-amino-4-(2,5-dibromoanilino)benzenesulfonamide
SMILESNc1cc(Nc2cc(Br)ccc2Br)ccc1S(N)(=O)=O
InChIInChI=1S/C12H11Br2N3O2S/c13-7-1-3-9(14)11(5-7)17-8-2-4-12(10(15)6-8)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyYCEIYEGRQNEAPW-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-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide
CID 79466509
2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide
CID 79466769
2-amino-4-(2-methylanilino)benzenesulfonamide
CID 79466882
4-amino-3-(2,5-dibromoanilino)benzenesulfonamide
CID 82907244
methyl 2-amino-5-(2,5-dibromoanilino)benzoate
CID 63423389
2-amino-4-(thiophen-3-ylamino)benzenesulfonamide
CID 79466458
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-(2-cyano-4-fluoroanilino)benzenesulfonamide
CID 82015079
2-amino-4-[(4-bromothiophen-2-yl)methylamino]benzenesulfonamide
CID 79466376
2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 79770383
2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide
CID 83078013
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,5-dibromoanilino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2,5-dibromoanilino)benzenesulfonamide (CID 79467601) is 2-amino-4-(2,5-dibromoanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2,5-dibromoanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2,5-dibromoanilino)benzenesulfonamide is Nc1cc(Nc2cc(Br)ccc2Br)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-(2,5-dibromoanilino)benzenesulfonamide?
The InChIKey is YCEIYEGRQNEAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O2S/c13-7-1-3-9(14)11(5-7)17-8-2-4-12(10(15)6-8)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19).
What are the key properties of 2-amino-4-(2,5-dibromoanilino)benzenesulfonamide?
2-amino-4-(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 2-amino-4-(2,5-dibromoanilino)benzenesulfonamide is sourced from PubChem (CID 79467601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).