2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine

C14H13ClN2O2S2 — CID 23655468

IUPAC2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccc(Cl)s2)c2ccccc12
InChIInChI=1S/C14H13ClN2O2S2/c15-13-5-6-14(20-13)21(18,19)17-9-10(7-8-16)11-3-1-2-4-12(11)17/h1-6,9H,7-8,16H2
InChIKeyFSQBPWLJULPEEW-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.09
Rot. Bonds4

About 2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine

2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine (PubChem CID 23655468) has the molecular formula C14H13ClN2O2S2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine
PubChem CID23655468
Molecular FormulaC14H13ClN2O2S2
Molecular Weight340.86 g/mol
Exact Mass340.01
IUPAC Name2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccc(Cl)s2)c2ccccc12
InChIInChI=1S/C14H13ClN2O2S2/c15-13-5-6-14(20-13)21(18,19)17-9-10(7-8-16)11-3-1-2-4-12(11)17/h1-6,9H,7-8,16H2
InChIKeyFSQBPWLJULPEEW-UHFFFAOYSA-N
XLogP3.09
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(quinolin-8-yl)thiophene-2-sulfonamide
CID 4729240
1-(4-Chloro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9842551
5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(2-diethylamino-ethyl)-1H-indol-5-yl]-amide
CID 9956634
5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(1-methyl-piperidin-4-yl)-1H-indol-5-yl]-amide
CID 10162467
N-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-5-chloro-3-methyl-benzo[b]thiophene-2-sulphonamide
CID 10182243
5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(2-dipropylamino-ethyl)-1H-indol-5-yl]-amide
CID 10278839
Substituted phenylsulfonyltryptamine, 11d
CID 23655289
Substituted phenylsulfonyltryptamine, 11f
CID 23655462
Substituted phenylsulfonyltryptamine, 11k
CID 23655466
Thiophene sulfonyltryptamine, 11n
CID 23655469
Thiophene sulfonyltryptamine, 11o
CID 23655664
1-(2-Chloro-benzenesulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389003

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine (CID 23655468) is 2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine is NCCc1cn(S(=O)(=O)c2ccc(Cl)s2)c2ccccc12.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine?
The InChIKey is FSQBPWLJULPEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S2/c15-13-5-6-14(20-13)21(18,19)17-9-10(7-8-16)11-3-1-2-4-12(11)17/h1-6,9H,7-8,16H2.
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine?
2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine has a molecular weight of 340.86 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethanamine is sourced from PubChem (CID 23655468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).