1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide

C10H14BrNO5S — CID 83092973

IUPAC1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CBr)cc(OC)c1OC
InChIInChI=1S/C10H14BrNO5S/c1-15-8-4-7(12-18(13,14)6-11)5-9(16-2)10(8)17-3/h4-5,12H,6H2,1-3H3
InChIKeyFKFWAVISZSLDRH-UHFFFAOYSA-N
MW340.20 g/mol
LogP1.81
Rot. Bonds6

About 1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide

1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide (PubChem CID 83092973) has the molecular formula C10H14BrNO5S and a molecular weight of 340.20 g/mol. Its IUPAC name is 1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide
PubChem CID83092973
Molecular FormulaC10H14BrNO5S
Molecular Weight340.20 g/mol
Exact Mass338.98
IUPAC Name1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CBr)cc(OC)c1OC
InChIInChI=1S/C10H14BrNO5S/c1-15-8-4-7(12-18(13,14)6-11)5-9(16-2)10(8)17-3/h4-5,12H,6H2,1-3H3
InChIKeyFKFWAVISZSLDRH-UHFFFAOYSA-N
XLogP1.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3,4,5-trimethoxyphenyl)butane-1-sulfonamide
CID 61456060
3,4,5-trimethoxy-N-(propylsulfamoyl)aniline
CID 110426852
1-bromo-N-(4-methoxyphenyl)methanesulfonamide
CID 83093726
2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide
CID 110299951
2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113000933
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 8512676
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050598
2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 2988024
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide
CID 3508793

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide (CID 83092973) is 1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide is COc1cc(NS(=O)(=O)CBr)cc(OC)c1OC.
What is the InChIKey of 1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide?
The InChIKey is FKFWAVISZSLDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO5S/c1-15-8-4-7(12-18(13,14)6-11)5-9(16-2)10(8)17-3/h4-5,12H,6H2,1-3H3.
What are the key properties of 1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide?
1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide has a molecular weight of 340.20 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 83092973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).