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

C14H15BrN2O3S — CID 65202045

IUPAC5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C14H15BrN2O3S/c1-20-13-5-3-2-4-10(13)9-17-21(18,19)14-8-11(16)6-7-12(14)15/h2-8,17H,9,16H2,1H3
InChIKeyIJQDCWPLNKGQQL-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.52
Rot. Bonds5

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

5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 65202045) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID65202045
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C14H15BrN2O3S/c1-20-13-5-3-2-4-10(13)9-17-21(18,19)14-8-11(16)6-7-12(14)15/h2-8,17H,9,16H2,1H3
InChIKeyIJQDCWPLNKGQQL-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-methoxyphenyl)methyl]benzenesulfonamide
CID 65202378
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
2-amino-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 62164569
N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
CID 61014555
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 19680723
4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide
CID 61127182
5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide
CID 65207005
3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 60808107

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (CID 65202045) is 5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is IJQDCWPLNKGQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-20-13-5-3-2-4-10(13)9-17-21(18,19)14-8-11(16)6-7-12(14)15/h2-8,17H,9,16H2,1H3.
What are the key properties of 5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
5-amino-2-bromo-N-[(2-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-[(2-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65202045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).