N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide

C15H16BrNO4S — CID 113099676

IUPACN-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO4S/c1-20-13-5-7-15(8-6-13)22(18,19)17-9-10-21-14-4-2-3-12(16)11-14/h2-8,11,17H,9-10H2,1H3
InChIKeyQAMIYUOUXKEQGJ-UHFFFAOYSA-N
MW386.27 g/mol
LogP2.82
Rot. Bonds7

About N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide

N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 113099676) has the molecular formula C15H16BrNO4S and a molecular weight of 386.27 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide
PubChem CID113099676
Molecular FormulaC15H16BrNO4S
Molecular Weight386.27 g/mol
Exact Mass385.00
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO4S/c1-20-13-5-7-15(8-6-13)22(18,19)17-9-10-21-14-4-2-3-12(16)11-14/h2-8,11,17H,9-10H2,1H3
InChIKeyQAMIYUOUXKEQGJ-UHFFFAOYSA-N
XLogP2.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 113099671
N-[2-(3-methoxyphenoxy)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 34111480
N-[2-(3-methoxyphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55598696
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 5018847
N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzenesulfonamide
CID 2900733
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
N-[2-(3-bromophenoxy)ethyl]-4-(methylsulfamoyl)benzamide
CID 55976141
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
2-(3-bromophenoxy)ethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16516041

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide (CID 113099676) is N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCOc2cccc(Br)c2)cc1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is QAMIYUOUXKEQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4S/c1-20-13-5-7-15(8-6-13)22(18,19)17-9-10-21-14-4-2-3-12(16)11-14/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide?
N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 386.27 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113099676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).