5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C14H15BrN2O3S — CID 65202378

IUPAC5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(N)ccc2Br)cc1
InChIInChI=1S/C14H15BrN2O3S/c1-20-12-5-2-10(3-6-12)9-17-21(18,19)14-8-11(16)4-7-13(14)15/h2-8,17H,9,16H2,1H3
InChIKeyZCOAVCZQNLUUNG-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.52
Rot. Bonds5

About 5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 65202378) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID65202378
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(N)ccc2Br)cc1
InChIInChI=1S/C14H15BrN2O3S/c1-20-12-5-2-10(3-6-12)9-17-21(18,19)14-8-11(16)4-7-13(14)15/h2-8,17H,9,16H2,1H3
InChIKeyZCOAVCZQNLUUNG-UHFFFAOYSA-N
XLogP2.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229551
5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65202045
4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899208
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 82222818
5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide
CID 65207005
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 62990223
N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride
CID 119988224
2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 55387268
5-amino-2-bromo-N-[(3-cyanophenyl)methyl]benzenesulfonamide
CID 65206824
4-bromo-3-ethoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 91758592

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 65202378) is 5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2cc(N)ccc2Br)cc1.
What is the InChIKey of 5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is ZCOAVCZQNLUUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-20-12-5-2-10(3-6-12)9-17-21(18,19)14-8-11(16)4-7-13(14)15/h2-8,17H,9,16H2,1H3.
What are the key properties of 5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65202378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).