1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide

C12H14BrNO3S2 — CID 129017405

IUPAC1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide
SMILESCOc1ccccc1CBr.NS(=O)(=O)c1cccs1
InChIInChI=1S/C8H9BrO.C4H5NO2S2/c1-10-8-5-3-2-4-7(8)6-9;5-9(6,7)4-2-1-3-8-4/h2-5H,6H2,1H3;1-3H,(H2,5,6,7)
InChIKeyNRSGEZMIJNMDJN-UHFFFAOYSA-N
MW364.29 g/mol
LogP2.99
Rot. Bonds3

About 1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide

1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide (PubChem CID 129017405) has the molecular formula C12H14BrNO3S2 and a molecular weight of 364.29 g/mol. Its IUPAC name is 1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide.

Molecular Properties

Compound Name1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide
PubChem CID129017405
Molecular FormulaC12H14BrNO3S2
Molecular Weight364.29 g/mol
Exact Mass362.96
IUPAC Name1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide
SMILESCOc1ccccc1CBr.NS(=O)(=O)c1cccs1
InChIInChI=1S/C8H9BrO.C4H5NO2S2/c1-10-8-5-3-2-4-7(8)6-9;5-9(6,7)4-2-1-3-8-4/h2-5H,6H2,1H3;1-3H,(H2,5,6,7)
InChIKeyNRSGEZMIJNMDJN-UHFFFAOYSA-N
XLogP2.99
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
methanol;thiophene-2-sulfonamide
CID 157397427
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
[amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium
CID 7197527
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
1-[3-(2-methoxyphenyl)propyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110358219
N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
CID 27301138
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide
CID 52561453
N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 54983654

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide?
The IUPAC name of 1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide (CID 129017405) is 1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide.
What is the SMILES notation for 1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide?
The canonical SMILES for 1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide is COc1ccccc1CBr.NS(=O)(=O)c1cccs1.
What is the InChIKey of 1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide?
The InChIKey is NRSGEZMIJNMDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO.C4H5NO2S2/c1-10-8-5-3-2-4-7(8)6-9;5-9(6,7)4-2-1-3-8-4/h2-5H,6H2,1H3;1-3H,(H2,5,6,7).
What are the key properties of 1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide?
1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide has a molecular weight of 364.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide is sourced from PubChem (CID 129017405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).