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

C15H17BrN2O2S — CID 104814670

IUPACN-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(N)c(C)cc2Br)c(C)c1
InChIInChI=1S/C15H17BrN2O2S/c1-9-4-5-15(11(3)6-9)21(19,20)18-14-8-13(17)10(2)7-12(14)16/h4-8,18H,17H2,1-3H3
InChIKeyVPNKWBAXRABNGU-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.76
Rot. Bonds3

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

N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 104814670) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
PubChem CID104814670
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(N)c(C)cc2Br)c(C)c1
InChIInChI=1S/C15H17BrN2O2S/c1-9-4-5-15(11(3)6-9)21(19,20)18-14-8-13(17)10(2)7-12(14)16/h4-8,18H,17H2,1-3H3
InChIKeyVPNKWBAXRABNGU-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)-2,4-dimethylbenzenesulfonamide
CID 82757244
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114624853
N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
CID 104814633
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 82745864
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
CID 9241717
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 104814671
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide (CID 104814670) is N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(N)c(C)cc2Br)c(C)c1.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is VPNKWBAXRABNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-9-4-5-15(11(3)6-9)21(19,20)18-14-8-13(17)10(2)7-12(14)16/h4-8,18H,17H2,1-3H3.
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide?
N-(5-amino-2-bromo-4-methylphenyl)-2,4-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 N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 104814670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).