2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine

C10H14BrNO3S — CID 116853368

IUPAC2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine
SMILESCNCCS(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H14BrNO3S/c1-12-5-6-16(13,14)8-3-4-10(15-2)9(11)7-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyCSOOUSTVSLWERK-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.45
Rot. Bonds5

About 2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine

2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine (PubChem CID 116853368) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine
PubChem CID116853368
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine
SMILESCNCCS(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H14BrNO3S/c1-12-5-6-16(13,14)8-3-4-10(15-2)9(11)7-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyCSOOUSTVSLWERK-UHFFFAOYSA-N
XLogP1.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine
CID 95456204
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
2-(3-bromo-4-methoxyphenyl)sulfonylacetonitrile
CID 116853688
2-(4-bromophenyl)sulfonyl-N-methylethanamine
CID 60641137
3-bromo-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698727
2-bromo-4-(cyclobutylmethylsulfonyl)-1-methoxybenzene
CID 170744006
3-bromo-4-methoxybenzenesulfonic acid;hydrochloride
CID 174435857
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 31391788
3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 103918422
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine (CID 116853368) is 2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine is CNCCS(=O)(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine?
The InChIKey is CSOOUSTVSLWERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-12-5-6-16(13,14)8-3-4-10(15-2)9(11)7-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine?
2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine has a molecular weight of 308.20 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine is sourced from PubChem (CID 116853368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).