3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide

C12H10BrN3O4S — CID 115993305

IUPAC3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccccc2Br)c1[N+](=O)[O-]
InChIInChI=1S/C12H10BrN3O4S/c13-8-4-1-2-6-10(8)15-21(19,20)11-7-3-5-9(14)12(11)16(17)18/h1-7,15H,14H2
InChIKeyYSVISNHYKWJSRY-UHFFFAOYSA-N
MW372.20 g/mol
LogP2.74
Rot. Bonds4

About 3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide

3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide (PubChem CID 115993305) has the molecular formula C12H10BrN3O4S and a molecular weight of 372.20 g/mol. Its IUPAC name is 3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide
PubChem CID115993305
Molecular FormulaC12H10BrN3O4S
Molecular Weight372.20 g/mol
Exact Mass370.96
IUPAC Name3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccccc2Br)c1[N+](=O)[O-]
InChIInChI=1S/C12H10BrN3O4S/c13-8-4-1-2-6-10(8)15-21(19,20)11-7-3-5-9(14)12(11)16(17)18/h1-7,15H,14H2
InChIKeyYSVISNHYKWJSRY-UHFFFAOYSA-N
XLogP2.74
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-bromophenyl)-3-nitrobenzenesulfonamide
CID 43348562
3-amino-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 115993300
N-(3-amino-2-methylphenyl)-2-nitrobenzenesulfonamide
CID 43605074
potassium 3-amino-2-nitrobenzenesulfonate
CID 101305376
3-amino-2-nitrobenzenesulfonic acid
CID 22146051
sodium 3-amino-2-nitrobenzenesulfonate
CID 101305367
3-amino-N-(2,2-dimethylpropyl)-2-nitrobenzenesulfonamide
CID 112675326
N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 26951674
3-amino-2-nitro-N-pentan-3-ylbenzenesulfonamide
CID 112675281
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661
3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 115993561
2-amino-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471964

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide (CID 115993305) is 3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide is Nc1cccc(S(=O)(=O)Nc2ccccc2Br)c1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide?
The InChIKey is YSVISNHYKWJSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O4S/c13-8-4-1-2-6-10(8)15-21(19,20)11-7-3-5-9(14)12(11)16(17)18/h1-7,15H,14H2.
What are the key properties of 3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide?
3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide has a molecular weight of 372.20 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 115993305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).