3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine

C13H18BrNO3S — CID 64644847

IUPAC3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H18BrNO3S/c1-2-15-11-7-8-18-9-13(11)19(16,17)12-6-4-3-5-10(12)14/h3-6,11,13,15H,2,7-9H2,1H3
InChIKeyZYJNHXLXWIRBMO-UHFFFAOYSA-N
MW348.26 g/mol
LogP1.99
Rot. Bonds4

About 3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine

3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine (PubChem CID 64644847) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine
PubChem CID64644847
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H18BrNO3S/c1-2-15-11-7-8-18-9-13(11)19(16,17)12-6-4-3-5-10(12)14/h3-6,11,13,15H,2,7-9H2,1H3
InChIKeyZYJNHXLXWIRBMO-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine
CID 64639620
2-(2-bromophenyl)sulfonyl-4-methyl-N-propylcyclohexan-1-amine
CID 64644849
3-(2-bromophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64652646
2-(2-bromophenyl)sulfonyl-N-methylcyclooctan-1-amine
CID 64647628
2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 91915497
N-ethyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676033
3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine
CID 103058468
3-[(5-bromothiophen-2-yl)methyl]-N-ethyloxan-4-amine
CID 106469279
2-(2-bromophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
CID 64645249
2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645455
3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103059502
2-[[(3S,4S)-4-(ethylamino)oxan-3-yl]methyl]benzonitrile
CID 97177568

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine?
The IUPAC name of 3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine (CID 64644847) is 3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine.
What is the SMILES notation for 3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine?
The canonical SMILES for 3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine is CCNC1CCOCC1S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine?
The InChIKey is ZYJNHXLXWIRBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-2-15-11-7-8-18-9-13(11)19(16,17)12-6-4-3-5-10(12)14/h3-6,11,13,15H,2,7-9H2,1H3.
What are the key properties of 3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine?
3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine has a molecular weight of 348.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfonyl-N-ethyloxan-4-amine is sourced from PubChem (CID 64644847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).