2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide

C15H17BrN2O2S — CID 103171680

IUPAC2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2Br)c1N
InChIInChI=1S/C15H17BrN2O2S/c1-9-5-4-6-12(13(9)16)18-21(19,20)15-11(3)8-7-10(2)14(15)17/h4-8,18H,17H2,1-3H3
InChIKeyHEGDGHMEWVWPSB-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.76
Rot. Bonds3

About 2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide

2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 103171680) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide
PubChem CID103171680
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2Br)c1N
InChIInChI=1S/C15H17BrN2O2S/c1-9-5-4-6-12(13(9)16)18-21(19,20)15-11(3)8-7-10(2)14(15)17/h4-8,18H,17H2,1-3H3
InChIKeyHEGDGHMEWVWPSB-UHFFFAOYSA-N
XLogP3.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.76
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-amino-N-(3-fluoro-2-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171388
N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327344
3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 107343733
2-amino-N-(5-bromo-2-chlorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171459
3-[(2-bromo-3-methylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102749098
2-amino-N-(2-chloro-5-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 107624506
2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171069
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide
CID 106073882
2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103170975
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 103171723
2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171008
2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
CID 43452387

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide (CID 103171680) is 2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2Br)c1N.
What is the InChIKey of 2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is HEGDGHMEWVWPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-9-5-4-6-12(13(9)16)18-21(19,20)15-11(3)8-7-10(2)14(15)17/h4-8,18H,17H2,1-3H3.
What are the key properties of 2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide?
2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103171680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).