5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide

C15H17BrN2O2S — CID 114624853

IUPAC5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(N)c(Br)cc2C)c(C)c1
InChIInChI=1S/C15H17BrN2O2S/c1-9-4-5-14(10(2)6-9)18-21(19,20)15-8-13(17)12(16)7-11(15)3/h4-8,18H,17H2,1-3H3
InChIKeyLVDPZOIMKLGGKO-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.76
Rot. Bonds3

About 5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide

5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide (PubChem CID 114624853) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
PubChem CID114624853
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(N)c(Br)cc2C)c(C)c1
InChIInChI=1S/C15H17BrN2O2S/c1-9-4-5-14(10(2)6-9)18-21(19,20)15-8-13(17)12(16)7-11(15)3/h4-8,18H,17H2,1-3H3
InChIKeyLVDPZOIMKLGGKO-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-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 104814670
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
5-amino-4-bromo-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 114625024
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 82745864
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114625894
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857
5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717455
4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide
CID 82761297
5-(aminomethyl)-2-bromo-N-(2,4-dimethylphenyl)thiophene-3-sulfonamide
CID 106060392

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide (CID 114624853) is 5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(N)c(Br)cc2C)c(C)c1.
What is the InChIKey of 5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is LVDPZOIMKLGGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-9-4-5-14(10(2)6-9)18-21(19,20)15-8-13(17)12(16)7-11(15)3/h4-8,18H,17H2,1-3H3.
What are the key properties of 5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide?
5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide 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 5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114624853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).