ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate

C16H12ClNO4S — CID 136880134

IUPACethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate
SMILESCCOC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc21
InChIInChI=1S/C16H12ClNO4S/c1-2-22-16(21)18-11-6-5-9(17)8-10(11)13(15(18)20)14(19)12-4-3-7-23-12/h3-8,20H,2H2,1H3
InChIKeyONLJFUXHWFXRLP-UHFFFAOYSA-N
MW349.80 g/mol
LogP4.30
Rot. Bonds3

About ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate

ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate (PubChem CID 136880134) has the molecular formula C16H12ClNO4S and a molecular weight of 349.80 g/mol. Its IUPAC name is ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate
PubChem CID136880134
Molecular FormulaC16H12ClNO4S
Molecular Weight349.80 g/mol
Exact Mass349.02
IUPAC Nameethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate
SMILESCCOC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc21
InChIInChI=1S/C16H12ClNO4S/c1-2-22-16(21)18-11-6-5-9(17)8-10(11)13(15(18)20)14(19)12-4-3-7-23-12/h3-8,20H,2H2,1H3
InChIKeyONLJFUXHWFXRLP-UHFFFAOYSA-N
XLogP4.30
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-chloro-2-hydroxy-N-methyl-3-(thiophene-2-carbonyl)indole-1-carboxamide
CID 10598451
sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride
CID 173323658
2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide
CID 140967202
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone
CID 82053341
ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate
CID 13255860
ethyl 2-benzoyl-3-[(2-bromoacetyl)amino]-5-chloroindole-1-carboxylate
CID 118140091
[5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone
CID 90733017
ethyl 3-methyl-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carboxylate
CID 102534196
ethyl 5-chloro-2-(cyclobuten-1-yl)-3-(trifluoromethyl)indole-1-carboxylate
CID 76962654
(2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone
CID 71444247
(5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone
CID 82053103
(2-oxo-2-thiophen-2-ylethyl) 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554562

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate?
The IUPAC name of ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate (CID 136880134) is ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate.
What is the SMILES notation for ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate?
The canonical SMILES for ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate is CCOC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc21.
What is the InChIKey of ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate?
The InChIKey is ONLJFUXHWFXRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4S/c1-2-22-16(21)18-11-6-5-9(17)8-10(11)13(15(18)20)14(19)12-4-3-7-23-12/h3-8,20H,2H2,1H3.
What are the key properties of ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate?
ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate has a molecular weight of 349.80 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate is sourced from PubChem (CID 136880134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).