N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine

C14H16ClNO2S2 — CID 106512644

IUPACN-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine
SMILESO=S(=O)(CCNCCc1ccsc1)c1ccccc1Cl
InChIInChI=1S/C14H16ClNO2S2/c15-13-3-1-2-4-14(13)20(17,18)10-8-16-7-5-12-6-9-19-11-12/h1-4,6,9,11,16H,5,7-8,10H2
InChIKeyWDWYYBCINTYOLI-UHFFFAOYSA-N
MW329.87 g/mol
LogP3.01
Rot. Bonds7

About N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine

N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine (PubChem CID 106512644) has the molecular formula C14H16ClNO2S2 and a molecular weight of 329.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine
PubChem CID106512644
Molecular FormulaC14H16ClNO2S2
Molecular Weight329.87 g/mol
Exact Mass329.03
IUPAC NameN-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine
SMILESO=S(=O)(CCNCCc1ccsc1)c1ccccc1Cl
InChIInChI=1S/C14H16ClNO2S2/c15-13-3-1-2-4-14(13)20(17,18)10-8-16-7-5-12-6-9-19-11-12/h1-4,6,9,11,16H,5,7-8,10H2
InChIKeyWDWYYBCINTYOLI-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 53.01
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-(2-chlorophenyl)sulfonylethyl]-4-methylpentan-1-amine
CID 106512674
2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 54953527
2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 114140725
2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine
CID 106512607
3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
CID 55694010
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049907
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 63455136
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
2-(2-chlorophenyl)sulfonylethyl formate
CID 19697051
3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 21110297
2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 79589134

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine (CID 106512644) is N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine is O=S(=O)(CCNCCc1ccsc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine?
The InChIKey is WDWYYBCINTYOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S2/c15-13-3-1-2-4-14(13)20(17,18)10-8-16-7-5-12-6-9-19-11-12/h1-4,6,9,11,16H,5,7-8,10H2.
What are the key properties of N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine?
N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine has a molecular weight of 329.87 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 106512644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).