5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide

C13H13BrN2O2S — CID 3388855

IUPAC5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O2S/c1-9-2-5-11(15)8-13(9)19(17,18)16-12-6-3-10(14)4-7-12/h2-8,16H,15H2,1H3
InChIKeyRGSDPGCFYYLDEX-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.14
Rot. Bonds3

About 5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide

5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide (PubChem CID 3388855) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide
PubChem CID3388855
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O2S/c1-9-2-5-11(15)8-13(9)19(17,18)16-12-6-3-10(14)4-7-12/h2-8,16H,15H2,1H3
InChIKeyRGSDPGCFYYLDEX-UHFFFAOYSA-N
XLogP3.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide (CID 3388855) is 5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide?
The InChIKey is RGSDPGCFYYLDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-9-2-5-11(15)8-13(9)19(17,18)16-12-6-3-10(14)4-7-12/h2-8,16H,15H2,1H3.
What are the key properties of 5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide?
5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 3388855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).