N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine

C11H16BrNO3S — CID 103603052

IUPACN-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine
SMILESCOCCNCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO3S/c1-16-8-6-13-7-9-17(14,15)11-4-2-10(12)3-5-11/h2-5,13H,6-9H2,1H3
InChIKeyGPLZPRGHIDANJR-UHFFFAOYSA-N
MW322.22 g/mol
LogP1.46
Rot. Bonds7

About N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine

N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine (PubChem CID 103603052) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine
PubChem CID103603052
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC NameN-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine
SMILESCOCCNCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO3S/c1-16-8-6-13-7-9-17(14,15)11-4-2-10(12)3-5-11/h2-5,13H,6-9H2,1H3
InChIKeyGPLZPRGHIDANJR-UHFFFAOYSA-N
XLogP1.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 51.46
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-bromophenyl)sulfonylethyl]ethane-1,2-diamine
CID 69274920
2-(4-bromophenyl)sulfonyl-N-methylethanamine
CID 60641137
N-[2-(4-bromophenyl)sulfonylethyl]-4-methylpentan-1-amine
CID 102672211
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
ethyl 4-[2-(4-bromophenyl)sulfonylethylamino]butanoate
CID 60661355
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
1-[2-(4-bromophenyl)sulfonylethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111763793
2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol
CID 139892733
4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
CID 82714595
3-(4-bromophenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine
CID 64653443
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)propan-1-amine
CID 64646666
2-[2-(4-bromophenyl)sulfonylethylamino]-3-methylbutanoic acid
CID 43468745

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine (CID 103603052) is N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine is COCCNCCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine?
The InChIKey is GPLZPRGHIDANJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-16-8-6-13-7-9-17(14,15)11-4-2-10(12)3-5-11/h2-5,13H,6-9H2,1H3.
What are the key properties of N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine?
N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine has a molecular weight of 322.22 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine is sourced from PubChem (CID 103603052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).