3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide

C12H9Br2ClN2O2S — CID 61466408

IUPAC3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cc(Br)ccc2Br)ccc1Cl
InChIInChI=1S/C12H9Br2ClN2O2S/c13-7-1-3-9(14)12(5-7)17-20(18,19)8-2-4-10(15)11(16)6-8/h1-6,17H,16H2
InChIKeyLTTUDJATUNCGOQ-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.25
Rot. Bonds3

About 3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide

3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide (PubChem CID 61466408) has the molecular formula C12H9Br2ClN2O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
PubChem CID61466408
Molecular FormulaC12H9Br2ClN2O2S
Molecular Weight440.54 g/mol
Exact Mass437.84
IUPAC Name3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cc(Br)ccc2Br)ccc1Cl
InChIInChI=1S/C12H9Br2ClN2O2S/c13-7-1-3-9(14)12(5-7)17-20(18,19)8-2-4-10(15)11(16)6-8/h1-6,17H,16H2
InChIKeyLTTUDJATUNCGOQ-UHFFFAOYSA-N
XLogP4.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
3-amino-N-(2-bromo-5-chlorophenyl)-4-fluorobenzenesulfonamide
CID 81262729
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070
3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596352
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861
5-amino-2-bromo-N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 65206792
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917
4-amino-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81263027
4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61468511

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide (CID 61466408) is 3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide is Nc1cc(S(=O)(=O)Nc2cc(Br)ccc2Br)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide?
The InChIKey is LTTUDJATUNCGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O2S/c13-7-1-3-9(14)12(5-7)17-20(18,19)8-2-4-10(15)11(16)6-8/h1-6,17H,16H2.
What are the key properties of 3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide?
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide has a molecular weight of 440.54 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide is sourced from PubChem (CID 61466408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).