[2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine

C15H16BrNO3S — CID 64699066

IUPAC[2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H16BrNO3S/c16-13-5-3-6-14(10-13)21(18,19)9-8-20-15-7-2-1-4-12(15)11-17/h1-7,10H,8-9,11,17H2
InChIKeyPJZUTNMBDAYCJA-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.76
Rot. Bonds6

About [2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine

[2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine (PubChem CID 64699066) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is [2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine
PubChem CID64699066
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name[2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H16BrNO3S/c16-13-5-3-6-14(10-13)21(18,19)9-8-20-15-7-2-1-4-12(15)11-17/h1-7,10H,8-9,11,17H2
InChIKeyPJZUTNMBDAYCJA-UHFFFAOYSA-N
XLogP2.76
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine
CID 64698467
[2-[2-(3-bromophenyl)sulfanylethoxy]phenyl]methanamine
CID 55119672
[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine
CID 64718432
4-(3-bromophenyl)sulfonyl-2,2-dimethylbutan-1-amine
CID 65256667
4-[3-(3-bromophenyl)sulfonylpropoxy]aniline
CID 62805519
1-bromo-3-(3-fluoropropylsulfonyl)benzene
CID 84715101
1-bromo-3-(2-phenylethylsulfonyl)benzene
CID 67134245
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
3-(3-bromophenyl)sulfonyl-N,N-dimethylpropan-1-amine
CID 58531760
3-[(3-bromophenyl)sulfonylmethyl]-4-methoxyaniline
CID 62805699
3-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544458
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine?
The IUPAC name of [2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine (CID 64699066) is [2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine?
The canonical SMILES for [2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine is NCc1ccccc1OCCS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of [2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine?
The InChIKey is PJZUTNMBDAYCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c16-13-5-3-6-14(10-13)21(18,19)9-8-20-15-7-2-1-4-12(15)11-17/h1-7,10H,8-9,11,17H2.
What are the key properties of [2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine?
[2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine has a molecular weight of 370.27 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-bromophenyl)sulfonylethoxy]phenyl]methanamine is sourced from PubChem (CID 64699066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).