3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide

C15H17BrN2O2S — CID 114378635

IUPAC3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C15H17BrN2O2S/c1-9-5-4-6-10(2)15(9)18-21(19,20)14-8-12(16)7-13(17)11(14)3/h4-8,18H,17H2,1-3H3
InChIKeyHDLZRXPSCOHFJP-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.76
Rot. Bonds3

About 3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide

3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide (PubChem CID 114378635) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
PubChem CID114378635
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C15H17BrN2O2S/c1-9-5-4-6-10(2)15(9)18-21(19,20)14-8-12(16)7-13(17)11(14)3/h4-8,18H,17H2,1-3H3
InChIKeyHDLZRXPSCOHFJP-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-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 114378692
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 22515848
3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 114379639
3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
CID 114378718
3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596287
3-amino-5-bromo-N-(5-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 114378862
3-amino-5-bromo-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 114378523
3-amino-5-bromo-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 114380367
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 30049967
N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
CID 28941729
2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 66251819

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide (CID 114378635) is 3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is HDLZRXPSCOHFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-9-5-4-6-10(2)15(9)18-21(19,20)14-8-12(16)7-13(17)11(14)3/h4-8,18H,17H2,1-3H3.
What are the key properties of 3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide?
3-amino-5-bromo-N-(2,6-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 3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114378635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).