N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide

C13H12BrClN2O2S — CID 106605035

IUPACN-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1N)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H12BrClN2O2S/c1-17(13-5-3-2-4-12(13)16)20(18,19)9-6-7-11(15)10(14)8-9/h2-8H,16H2,1H3
InChIKeyVPDZYAQZFNMTPB-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.51
Rot. Bonds3

About N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide

N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide (PubChem CID 106605035) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide
PubChem CID106605035
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC NameN-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1N)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H12BrClN2O2S/c1-17(13-5-3-2-4-12(13)16)20(18,19)9-6-7-11(15)10(14)8-9/h2-8H,16H2,1H3
InChIKeyVPDZYAQZFNMTPB-UHFFFAOYSA-N
XLogP3.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide
CID 80578152
3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 106610736
3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 106605814
3-amino-4-chloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 58022194
4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 81440430
N-(6-amino-7-oxocyclohepta-1,3,5-trien-1-yl)-N,4-dimethylbenzenesulfonamide
CID 12557679
3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 106545645
N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide
CID 107997593
N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide
CID 62101486
3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 106611794
3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596352
2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide
CID 106546067

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide (CID 106605035) is N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide is CN(c1ccccc1N)S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide?
The InChIKey is VPDZYAQZFNMTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c1-17(13-5-3-2-4-12(13)16)20(18,19)9-6-7-11(15)10(14)8-9/h2-8H,16H2,1H3.
What are the key properties of N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide?
N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide has a molecular weight of 375.68 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 106605035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).