2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide

C15H17BrN2O2S — CID 82745864

IUPAC2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cc(C)c(C)cc2N)c1
InChIInChI=1S/C15H17BrN2O2S/c1-9-4-5-12(16)14(6-9)18-21(19,20)15-8-11(3)10(2)7-13(15)17/h4-8,18H,17H2,1-3H3
InChIKeyPXIATLJVTQDXCU-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.76
Rot. Bonds3

About 2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide

2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 82745864) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
PubChem CID82745864
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cc(C)c(C)cc2N)c1
InChIInChI=1S/C15H17BrN2O2S/c1-9-4-5-12(16)14(6-9)18-21(19,20)15-8-11(3)10(2)7-13(15)17/h4-8,18H,17H2,1-3H3
InChIKeyPXIATLJVTQDXCU-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

N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide
CID 82761297
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
5-amino-N-(2-bromo-5-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 82744627
N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 104814670
2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43555520
5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
CID 82744624
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114624853
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide (CID 82745864) is 2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide is Cc1ccc(Br)c(NS(=O)(=O)c2cc(C)c(C)cc2N)c1.
What is the InChIKey of 2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is PXIATLJVTQDXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-9-4-5-12(16)14(6-9)18-21(19,20)15-8-11(3)10(2)7-13(15)17/h4-8,18H,17H2,1-3H3.
What are the key properties of 2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide?
2-amino-N-(2-bromo-5-methylphenyl)-4,5-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-5-methylphenyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 82745864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).