3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide

C14H14Br2N2O2S — CID 107596340

IUPAC3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-8-6-7-12(17)9(2)14(8)21(19,20)18-13-10(15)4-3-5-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyQHRGJXFCAKOIBU-UHFFFAOYSA-N
MW434.15 g/mol
LogP4.21
Rot. Bonds3

About 3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide

3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 107596340) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is 3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID107596340
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC Name3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-8-6-7-12(17)9(2)14(8)21(19,20)18-13-10(15)4-3-5-11(13)16/h3-7,18H,17H2,1-2H3
InChIKeyQHRGJXFCAKOIBU-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

3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257720
3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 61166903
3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257589
4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339
3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257405
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917
3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257764
3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596287
3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
CID 43256969
5-amino-N-(2-bromo-6-fluorophenyl)-2-methylbenzenesulfonamide
CID 107596369
2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452545

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide (CID 107596340) is 3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is QHRGJXFCAKOIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c1-8-6-7-12(17)9(2)14(8)21(19,20)18-13-10(15)4-3-5-11(13)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide 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 3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107596340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).