2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine

C16H15ClN2O2S — CID 10088284

IUPAC2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine
SMILESNCCn1cc(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C16H15ClN2O2S/c17-12-6-7-14-15(10-12)19(9-8-18)11-16(14)22(20,21)13-4-2-1-3-5-13/h1-7,10-11H,8-9,18H2
InChIKeyYFFMNVDYAYYDMQ-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.09
Rot. Bonds4

About 2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine

2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine (PubChem CID 10088284) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine
PubChem CID10088284
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine
SMILESNCCn1cc(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C16H15ClN2O2S/c17-12-6-7-14-15(10-12)19(9-8-18)11-16(14)22(20,21)13-4-2-1-3-5-13/h1-7,10-11H,8-9,18H2
InChIKeyYFFMNVDYAYYDMQ-UHFFFAOYSA-N
XLogP3.09
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine?
The IUPAC name of 2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine (CID 10088284) is 2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine?
The canonical SMILES for 2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine is NCCn1cc(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of 2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine?
The InChIKey is YFFMNVDYAYYDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c17-12-6-7-14-15(10-12)19(9-8-18)11-16(14)22(20,21)13-4-2-1-3-5-13/h1-7,10-11H,8-9,18H2.
What are the key properties of 2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine?
2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine has a molecular weight of 334.83 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-6-chloroindol-1-yl]ethanamine is sourced from PubChem (CID 10088284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).