3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide

C15H17BrN2O2S — CID 79884838

IUPAC3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-9-6-14(17)11(3)15(7-9)21(19,20)18-12-4-5-13(16)10(2)8-12/h4-8,18H,17H2,1-3H3
InChIKeyYFOBZRGLAVTHOA-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.76
Rot. Bonds3

About 3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide

3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 79884838) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID79884838
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-9-6-14(17)11(3)15(7-9)21(19,20)18-12-4-5-13(16)10(2)8-12/h4-8,18H,17H2,1-3H3
InChIKeyYFOBZRGLAVTHOA-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

3-amino-2,5-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 79889224
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503
5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 65022933
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675
3-amino-N-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885868
3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79884837
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
3-amino-5-chloro-N-(4-fluoro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 114379533
3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
CID 114378718
3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79889062

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide (CID 79884838) is 3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c1.
What is the InChIKey of 3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is YFOBZRGLAVTHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-9-6-14(17)11(3)15(7-9)21(19,20)18-12-4-5-13(16)10(2)8-12/h4-8,18H,17H2,1-3H3.
What are the key properties of 3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide?
3-amino-N-(4-bromo-3-methylphenyl)-2,5-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 3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79884838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).