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

C16H14Cl2N2O2S — CID 23655466

IUPAC2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C16H14Cl2N2O2S/c17-14-6-5-12(9-15(14)18)23(21,22)20-10-11(7-8-19)13-3-1-2-4-16(13)20/h1-6,9-10H,7-8,19H2
InChIKeyDCLULEWKNCWYMQ-UHFFFAOYSA-N
MW369.27 g/mol
LogP3.69
Rot. Bonds4

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

2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine (PubChem CID 23655466) has the molecular formula C16H14Cl2N2O2S and a molecular weight of 369.27 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine
PubChem CID23655466
Molecular FormulaC16H14Cl2N2O2S
Molecular Weight369.27 g/mol
Exact Mass368.02
IUPAC Name2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C16H14Cl2N2O2S/c17-14-6-5-12(9-15(14)18)23(21,22)20-10-11(7-8-19)13-3-1-2-4-16(13)20/h1-6,9-10H,7-8,19H2
InChIKeyDCLULEWKNCWYMQ-UHFFFAOYSA-N
XLogP3.69
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
n1-(4-Aminobenzenesulfonyl)skatole
CID 10356663
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzene-1-sulfonamide
CID 24825393
N-[4-(1H-indol-3-yl)butyl]-4-pentylbenzene-1-sulfonamide
CID 24825394
N-arenesulfonylindole antagonist, 10
CID 44263491

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine (CID 23655466) is 2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine is NCCc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine?
The InChIKey is DCLULEWKNCWYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S/c17-14-6-5-12(9-15(14)18)23(21,22)20-10-11(7-8-19)13-3-1-2-4-16(13)20/h1-6,9-10H,7-8,19H2.
What are the key properties of 2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine?
2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine has a molecular weight of 369.27 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)sulfonylindol-3-yl]ethanamine is sourced from PubChem (CID 23655466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).