4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide

C13H13BrN2O2S — CID 43255899

IUPAC4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(N)cc2Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-9-3-2-4-11(7-9)16-19(17,18)13-6-5-10(15)8-12(13)14/h2-8,16H,15H2,1H3
InChIKeyRVNCUNHTZXUABI-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.14
Rot. Bonds3

About 4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide

4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 43255899) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
PubChem CID43255899
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(N)cc2Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-9-3-2-4-11(7-9)16-19(17,18)13-6-5-10(15)8-12(13)14/h2-8,16H,15H2,1H3
InChIKeyRVNCUNHTZXUABI-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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Related Compounds

2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 43256680
N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43602585
2-bromo-N-(3-tert-butylphenyl)-4-methylbenzenesulfonamide
CID 90068343
4-amino-2-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 43256663
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386867
4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 43256338
4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339
4-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 43256061
N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 43602694
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide (CID 43255899) is 4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(N)cc2Br)c1.
What is the InChIKey of 4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is RVNCUNHTZXUABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-9-3-2-4-11(7-9)16-19(17,18)13-6-5-10(15)8-12(13)14/h2-8,16H,15H2,1H3.
What are the key properties of 4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide?
4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide 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 4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 43255899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).