N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide

C13H12Br2N2O2S — CID 81327386

IUPACN-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccccc2N)cc1Br
InChIInChI=1S/C13H12Br2N2O2S/c1-8-6-10(15)13(7-9(8)14)20(18,19)17-12-5-3-2-4-11(12)16/h2-7,17H,16H2,1H3
InChIKeyNUULJJOJTCFIQB-UHFFFAOYSA-N
MW420.13 g/mol
LogP3.90
Rot. Bonds3

About N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide

N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide (PubChem CID 81327386) has the molecular formula C13H12Br2N2O2S and a molecular weight of 420.13 g/mol. Its IUPAC name is N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
PubChem CID81327386
Molecular FormulaC13H12Br2N2O2S
Molecular Weight420.13 g/mol
Exact Mass417.90
IUPAC NameN-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccccc2N)cc1Br
InChIInChI=1S/C13H12Br2N2O2S/c1-8-6-10(15)13(7-9(8)14)20(18,19)17-12-5-3-2-4-11(12)16/h2-7,17H,16H2,1H3
InChIKeyNUULJJOJTCFIQB-UHFFFAOYSA-N
XLogP3.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.13
LogP ≤ 53.90
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-bromobenzenesulfonamide
CID 104814633
2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 81427284
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
N-(4-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327224
4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 163343274
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576
2,5-dibromo-N-(4-iodo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81435963
2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 146147461
2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81428591
N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide (CID 81327386) is N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2ccccc2N)cc1Br.
What is the InChIKey of N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide?
The InChIKey is NUULJJOJTCFIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2S/c1-8-6-10(15)13(7-9(8)14)20(18,19)17-12-5-3-2-4-11(12)16/h2-7,17H,16H2,1H3.
What are the key properties of N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide?
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide has a molecular weight of 420.13 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide is sourced from PubChem (CID 81327386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).