N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide

C15H17BrN2O2S — CID 63230710

IUPACN-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide
SMILESCCCN(c1ccccc1N)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O2S/c1-2-11-18(14-9-5-4-8-13(14)17)21(19,20)15-10-6-3-7-12(15)16/h3-10H,2,11,17H2,1H3
InChIKeySQLLHPJVHLAISV-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.64
Rot. Bonds5

About N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide

N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide (PubChem CID 63230710) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide
PubChem CID63230710
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC NameN-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide
SMILESCCCN(c1ccccc1N)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O2S/c1-2-11-18(14-9-5-4-8-13(14)17)21(19,20)15-10-6-3-7-12(15)16/h3-10H,2,11,17H2,1H3
InChIKeySQLLHPJVHLAISV-UHFFFAOYSA-N
XLogP3.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.64
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)-2,5-dichloro-N-propylthiophene-3-sulfonamide
CID 63230277
N-(2-aminophenyl)-N-propylcyclopropanesulfonamide
CID 64554493
1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene
CID 114804803
N-(2-aminophenyl)-3-methoxy-N-propylpropane-1-sulfonamide
CID 55171150
N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 63230617
N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550518
2-amino-N,N-dipropylbenzenesulfonamide
CID 16783844
N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide
CID 43458478
N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide
CID 62688610
N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide
CID 79117102
2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 6734789
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide (CID 63230710) is N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide is CCCN(c1ccccc1N)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide?
The InChIKey is SQLLHPJVHLAISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-2-11-18(14-9-5-4-8-13(14)17)21(19,20)15-10-6-3-7-12(15)16/h3-10H,2,11,17H2,1H3.
What are the key properties of N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide?
N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide is sourced from PubChem (CID 63230710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).