2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine

C14H13ClN2O2S2 — CID 11186879

IUPAC2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2cccc(Cl)c2)c2ccsc12
InChIInChI=1S/C14H13ClN2O2S2/c15-11-2-1-3-12(8-11)21(18,19)17-9-10(4-6-16)14-13(17)5-7-20-14/h1-3,5,7-9H,4,6,16H2
InChIKeyOPCUFDRPQYJKBS-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.09
Rot. Bonds4

About 2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine

2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine (PubChem CID 11186879) has the molecular formula C14H13ClN2O2S2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine
PubChem CID11186879
Molecular FormulaC14H13ClN2O2S2
Molecular Weight340.86 g/mol
Exact Mass340.01
IUPAC Name2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2cccc(Cl)c2)c2ccsc12
InChIInChI=1S/C14H13ClN2O2S2/c15-11-2-1-3-12(8-11)21(18,19)17-9-10(4-6-16)14-13(17)5-7-20-14/h1-3,5,7-9H,4,6,16H2
InChIKeyOPCUFDRPQYJKBS-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

1-(benzenesulfonyl)-6-chloro-3-(3-methylsulfonylpropyl)indole
CID 141426905
2-[5-bromo-1-(3-chlorophenyl)sulfonylpyrrol-3-yl]ethylcarbamic acid
CID 66924653
3-[1-(benzenesulfonyl)-5-chloroindol-3-yl]propanoic acid
CID 18449976
1-(3-chlorophenyl)sulfonyl-4-iodoindole-3-carbaldehyde
CID 170556024
3-(3-chlorophenyl)sulfonylpropan-1-amine
CID 28753143
5-[3-(aminomethyl)-5-chloroindol-1-yl]sulfonyl-2-chloro-N,N-dihydroxyaniline
CID 89025753
1-[5-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 135353587
3-(3-chlorophenyl)sulfonyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
CID 25073427
2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine
CID 10195297
1-[1-(3-chlorophenyl)sulfonyl-4-methoxy-5-(2,4,6-trifluorophenyl)pyrrol-3-yl]-N-methylmethanamine
CID 122662115
(3-chlorophenyl)sulfonylurea
CID 117060605
3-[5-chloro-1-[3-(2-chloro-3-fluorophenyl)phenyl]sulfonylindol-3-yl]propanoic acid
CID 58056572

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine?
The IUPAC name of 2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine (CID 11186879) is 2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine?
The canonical SMILES for 2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine is NCCc1cn(S(=O)(=O)c2cccc(Cl)c2)c2ccsc12.
What is the InChIKey of 2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine?
The InChIKey is OPCUFDRPQYJKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S2/c15-11-2-1-3-12(8-11)21(18,19)17-9-10(4-6-16)14-13(17)5-7-20-14/h1-3,5,7-9H,4,6,16H2.
What are the key properties of 2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine?
2-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-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-[4-(3-chlorophenyl)sulfonylthieno[3,2-b]pyrrol-6-yl]ethanamine is sourced from PubChem (CID 11186879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).