(1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine

C14H15Cl2NO3S — CID 8920650

IUPAC(1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine
SMILESC[C@H](NCCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccco1
InChIInChI=1S/C14H15Cl2NO3S/c1-10(13-3-2-7-20-13)17-6-8-21(18,19)14-9-11(15)4-5-12(14)16/h2-5,7,9-10,17H,6,8H2,1H3/t10-/m0/s1
InChIKeyWEYIEVYWOBZAOU-JTQLQIEISA-N
MW348.25 g/mol
LogP3.71
Rot. Bonds6

About (1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine

(1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine (PubChem CID 8920650) has the molecular formula C14H15Cl2NO3S and a molecular weight of 348.25 g/mol. Its IUPAC name is (1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine
PubChem CID8920650
Molecular FormulaC14H15Cl2NO3S
Molecular Weight348.25 g/mol
Exact Mass347.01
IUPAC Name(1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine
SMILESC[C@H](NCCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccco1
InChIInChI=1S/C14H15Cl2NO3S/c1-10(13-3-2-7-20-13)17-6-8-21(18,19)14-9-11(15)4-5-12(14)16/h2-5,7,9-10,17H,6,8H2,1H3/t10-/m0/s1
InChIKeyWEYIEVYWOBZAOU-JTQLQIEISA-N
XLogP3.71
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(furan-2-yl)ethanamine
CID 22327625
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403890
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339
(1R)-N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403407
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine
CID 106513532
3-(2,5-dichlorophenyl)sulfonyl-N-propylpropan-1-amine
CID 64641245
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-(furan-2-yl)ethanamine
CID 115707739
N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917918
2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 122265766
N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
CID 81399861
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine (CID 8920650) is (1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine is C[C@H](NCCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccco1.
What is the InChIKey of (1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine?
The InChIKey is WEYIEVYWOBZAOU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15Cl2NO3S/c1-10(13-3-2-7-20-13)17-6-8-21(18,19)14-9-11(15)4-5-12(14)16/h2-5,7,9-10,17H,6,8H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine?
(1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine has a molecular weight of 348.25 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 8920650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).