2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine

C14H12Cl2N2O2S2 — CID 23655664

IUPAC2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2cc(Cl)c(Cl)s2)c2ccccc12
InChIInChI=1S/C14H12Cl2N2O2S2/c15-11-7-13(21-14(11)16)22(19,20)18-8-9(5-6-17)10-3-1-2-4-12(10)18/h1-4,7-8H,5-6,17H2
InChIKeyMABZHQLBNXZJBS-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.75
Rot. Bonds4

About 2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine

2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine (PubChem CID 23655664) has the molecular formula C14H12Cl2N2O2S2 and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine
PubChem CID23655664
Molecular FormulaC14H12Cl2N2O2S2
Molecular Weight375.30 g/mol
Exact Mass373.97
IUPAC Name2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2cc(Cl)c(Cl)s2)c2ccccc12
InChIInChI=1S/C14H12Cl2N2O2S2/c15-11-7-13(21-14(11)16)22(19,20)18-8-9(5-6-17)10-3-1-2-4-12(10)18/h1-4,7-8H,5-6,17H2
InChIKeyMABZHQLBNXZJBS-UHFFFAOYSA-N
XLogP3.75
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine (CID 23655664) is 2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine is NCCc1cn(S(=O)(=O)c2cc(Cl)c(Cl)s2)c2ccccc12.
What is the InChIKey of 2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine?
The InChIKey is MABZHQLBNXZJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S2/c15-11-7-13(21-14(11)16)22(19,20)18-8-9(5-6-17)10-3-1-2-4-12(10)18/h1-4,7-8H,5-6,17H2.
What are the key properties of 2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine?
2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine has a molecular weight of 375.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5-dichlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine is sourced from PubChem (CID 23655664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).