N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide

C11H16BrNO3S — CID 55171348

IUPACN-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C11H16BrNO3S/c1-9-4-5-10(12)8-11(9)13-17(14,15)7-3-6-16-2/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyJLXGTUOYYVSTEW-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.54
Rot. Bonds6

About N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide

N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide (PubChem CID 55171348) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide
PubChem CID55171348
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC NameN-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C11H16BrNO3S/c1-9-4-5-10(12)8-11(9)13-17(14,15)7-3-6-16-2/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyJLXGTUOYYVSTEW-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(5-bromo-2-methylphenyl)sulfamoyl]propanoate
CID 61061576
N'-hydroxy-3-(3-methoxypropylsulfonylamino)-4-methylbenzenecarboximidamide
CID 76994146
N-(5-bromo-2-methylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54971985
5-bromo-N-(2-methoxyethyl)-2-methylaniline
CID 43806040
5-bromo-N-[2-(3-methoxypropoxy)ethyl]-2-methylaniline
CID 103178607
3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide
CID 60910330
4-bromo-1-methyl-2-(sulfamoylamino)benzene
CID 112573557
N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79585550
N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 104779607
N-[1-(4-bromophenyl)ethyl]-3-methoxypropane-1-sulfonamide
CID 55171538
3-[4-(3-methoxypropylsulfonylamino)-3-methylphenyl]prop-2-enoic acid
CID 76994207
4-fluoro-3-(3-methoxypropylsulfonylamino)benzoic acid
CID 63290128

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide (CID 55171348) is N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)Nc1cc(Br)ccc1C.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is JLXGTUOYYVSTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-9-4-5-10(12)8-11(9)13-17(14,15)7-3-6-16-2/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide?
N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 55171348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).