2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide

C15H15BrN2O2S — CID 43258379

IUPAC2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H15BrN2O2S/c16-12-5-7-15(14(17)9-12)21(19,20)18-13-6-4-10-2-1-3-11(10)8-13/h4-9,18H,1-3,17H2
InChIKeyXGJAWGAHJQOVMV-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.32
Rot. Bonds3

About 2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide

2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide (PubChem CID 43258379) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
PubChem CID43258379
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H15BrN2O2S/c16-12-5-7-15(14(17)9-12)21(19,20)18-13-6-4-10-2-1-3-11(10)8-13/h4-9,18H,1-3,17H2
InChIKeyXGJAWGAHJQOVMV-UHFFFAOYSA-N
XLogP3.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.32
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

2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide
CID 62150632
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 5019685
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 43258121
2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587465
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642
3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide
CID 30286317
2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 43257274
3-amino-4-[(4-bromophenyl)sulfamoyl]benzoic acid
CID 81452961
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide
CID 106059579
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)furan-2-sulfonamide
CID 106059570
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)-4-methoxybenzenesulfonamide
CID 4816110
2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 60824049

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide (CID 43258379) is 2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide is Nc1cc(Br)ccc1S(=O)(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide?
The InChIKey is XGJAWGAHJQOVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c16-12-5-7-15(14(17)9-12)21(19,20)18-13-6-4-10-2-1-3-11(10)8-13/h4-9,18H,1-3,17H2.
What are the key properties of 2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide?
2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide has a molecular weight of 367.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide is sourced from PubChem (CID 43258379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).