N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide

C14H14Br2N2O2S — CID 28941729

IUPACN-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
SMILESCc1ccc(N)c(C)c1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-8-3-6-12(17)9(2)14(8)18-21(19,20)13-7-10(15)4-5-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyXCWBSDXIPJGXNV-UHFFFAOYSA-N
MW434.15 g/mol
LogP4.21
Rot. Bonds3

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

N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide (PubChem CID 28941729) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
PubChem CID28941729
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
SMILESCc1ccc(N)c(C)c1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-8-3-6-12(17)9(2)14(8)18-21(19,20)13-7-10(15)4-5-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyXCWBSDXIPJGXNV-UHFFFAOYSA-N
XLogP4.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 54.21
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-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 61293712
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide
CID 107697937
2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794052
N-(3-amino-2,6-dimethylphenyl)methanesulfonamide
CID 24702132
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114378635
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
CID 43551086
N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide
CID 63689329
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide (CID 28941729) is N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide is Cc1ccc(N)c(C)c1NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide?
The InChIKey is XCWBSDXIPJGXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c1-8-3-6-12(17)9(2)14(8)18-21(19,20)13-7-10(15)4-5-11(13)16/h3-7,18H,17H2,1-2H3.
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide?
N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide has a molecular weight of 434.15 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide is sourced from PubChem (CID 28941729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).