5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide

C15H17BrN2O2S — CID 114625565

IUPAC5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cc(N)c(Br)cc2C)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-10-4-6-12(7-5-10)18(3)21(19,20)15-9-14(17)13(16)8-11(15)2/h4-9H,17H2,1-3H3
InChIKeyCEHJJLPKOINKIJ-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.47
Rot. Bonds3

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

5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 114625565) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID114625565
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cc(N)c(Br)cc2C)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-10-4-6-12(7-5-10)18(3)21(19,20)15-9-14(17)13(16)8-11(15)2/h4-9H,17H2,1-3H3
InChIKeyCEHJJLPKOINKIJ-UHFFFAOYSA-N
XLogP3.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 65206643
5-amino-2,3-difluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 65020931
5-amino-4-bromo-N,2-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 114625158
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 62003855
2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide
CID 62003518
N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
5-amino-4-bromo-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 114625318
4-amino-N-(3,5-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002768
5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 114625278

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide (CID 114625565) is 5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2cc(N)c(Br)cc2C)cc1.
What is the InChIKey of 5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is CEHJJLPKOINKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-10-4-6-12(7-5-10)18(3)21(19,20)15-9-14(17)13(16)8-11(15)2/h4-9H,17H2,1-3H3.
What are the key properties of 5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 114625565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).