4-amino-5-bromobenzene-1,3-disulfonamide

C6H8BrN3O4S2 — CID 22323981

IUPAC4-amino-5-bromobenzene-1,3-disulfonamide
SMILESNc1c(Br)cc(S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C6H8BrN3O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
InChIKeyOPKQRYBDJWZCFW-UHFFFAOYSA-N
MW330.19 g/mol
LogP-0.67
Rot. Bonds2

About 4-amino-5-bromobenzene-1,3-disulfonamide

4-amino-5-bromobenzene-1,3-disulfonamide (PubChem CID 22323981) has the molecular formula C6H8BrN3O4S2 and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-amino-5-bromobenzene-1,3-disulfonamide.

Molecular Properties

Compound Name4-amino-5-bromobenzene-1,3-disulfonamide
PubChem CID22323981
Molecular FormulaC6H8BrN3O4S2
Molecular Weight330.19 g/mol
Exact Mass328.91
IUPAC Name4-amino-5-bromobenzene-1,3-disulfonamide
SMILESNc1c(Br)cc(S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C6H8BrN3O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
InChIKeyOPKQRYBDJWZCFW-UHFFFAOYSA-N
XLogP-0.67
TPSA146.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-5-bromobenzene-1,3-disulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dibromo-4-chlorobenzenesulfonamide
CID 171009073
4-amino-5,6-dichlorobenzene-1,3-disulfonamide
CID 2781602
sodium;4-amino-3,5-dibromobenzenesulfonic acid;hydride
CID 173102273
3,4-dibromo-5-chlorobenzenesulfonamide
CID 171008956
2,6-dibromo-4-ethenylsulfonylaniline
CID 70537279
3-bromo-4-chloro-5-methylbenzenesulfonamide
CID 171001910
2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)aniline
CID 23123878
4-chloro-5-methylbenzene-1,3-disulfonamide
CID 134098209
8-hydroxynaphthalene-1,3,6-trisulfonamide
CID 51056626
3-(4-amino-3-bromophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70565930
3-bromo-5-fluorobenzenesulfonamide
CID 118572967
2-(4-amino-3,5-dibromophenyl)sulfonylacetic acid
CID 11068738

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromobenzene-1,3-disulfonamide?
The IUPAC name of 4-amino-5-bromobenzene-1,3-disulfonamide (CID 22323981) is 4-amino-5-bromobenzene-1,3-disulfonamide.
What is the SMILES notation for 4-amino-5-bromobenzene-1,3-disulfonamide?
The canonical SMILES for 4-amino-5-bromobenzene-1,3-disulfonamide is Nc1c(Br)cc(S(N)(=O)=O)cc1S(N)(=O)=O.
What is the InChIKey of 4-amino-5-bromobenzene-1,3-disulfonamide?
The InChIKey is OPKQRYBDJWZCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14).
What are the key properties of 4-amino-5-bromobenzene-1,3-disulfonamide?
4-amino-5-bromobenzene-1,3-disulfonamide has a molecular weight of 330.19 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromobenzene-1,3-disulfonamide is sourced from PubChem (CID 22323981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).