3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide

C13H11Br2ClN2O2S — CID 107596287

IUPAC3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C13H11Br2ClN2O2S/c1-7-11(17)5-8(16)6-12(7)21(19,20)18-13-9(14)3-2-4-10(13)15/h2-6,18H,17H2,1H3
InChIKeyOQCFROHHJROQQU-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.56
Rot. Bonds3

About 3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide

3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide (PubChem CID 107596287) has the molecular formula C13H11Br2ClN2O2S and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
PubChem CID107596287
Molecular FormulaC13H11Br2ClN2O2S
Molecular Weight454.57 g/mol
Exact Mass451.86
IUPAC Name3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C13H11Br2ClN2O2S/c1-7-11(17)5-8(16)6-12(7)21(19,20)18-13-9(14)3-2-4-10(13)15/h2-6,18H,17H2,1H3
InChIKeyOQCFROHHJROQQU-UHFFFAOYSA-N
XLogP4.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.56
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-(5-bromo-2-methylphenyl)-5-chloro-2-methylbenzenesulfonamide
CID 114379014
3-amino-2-bromo-5-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 66251428
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114378635
3-amino-5-chloro-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114379875
3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 114379018
3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 114380364
3-amino-5-chloro-N-(4-fluoro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 114379533
4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 114378692
3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596352
3-amino-5-chloro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 114378522

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide (CID 107596287) is 3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide?
The InChIKey is OQCFROHHJROQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2O2S/c1-7-11(17)5-8(16)6-12(7)21(19,20)18-13-9(14)3-2-4-10(13)15/h2-6,18H,17H2,1H3.
What are the key properties of 3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide?
3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide has a molecular weight of 454.57 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 107596287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).