ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate

C19H19ClN2O4S — CID 14476307

IUPACethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)ccc2[nH]1
InChIInChI=1S/C19H19ClN2O4S/c1-2-26-19(23)18-12-14-11-13(3-8-17(14)22-18)9-10-21-27(24,25)16-6-4-15(20)5-7-16/h3-8,11-12,21-22H,2,9-10H2,1H3
InChIKeyRRQHAVRCCAFGGA-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.52
Rot. Bonds7

About ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate

ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate (PubChem CID 14476307) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate
PubChem CID14476307
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Nameethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)ccc2[nH]1
InChIInChI=1S/C19H19ClN2O4S/c1-2-26-19(23)18-12-14-11-13(3-8-17(14)22-18)9-10-21-27(24,25)16-6-4-15(20)5-7-16/h3-8,11-12,21-22H,2,9-10H2,1H3
InChIKeyRRQHAVRCCAFGGA-UHFFFAOYSA-N
XLogP3.52
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate
CID 14476291
4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide
CID 110643307
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
ethyl 5-(2-cyanoethyl)-1H-indole-2-carboxylate
CID 70096807
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate
CID 146012562
methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
CID 22551871
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1-benzofuran-2-carboxylate
CID 14476317
4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 70357784
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate (CID 14476307) is ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)ccc2[nH]1.
What is the InChIKey of ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate?
The InChIKey is RRQHAVRCCAFGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-2-26-19(23)18-12-14-11-13(3-8-17(14)22-18)9-10-21-27(24,25)16-6-4-15(20)5-7-16/h3-8,11-12,21-22H,2,9-10H2,1H3.
What are the key properties of ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate?
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate has a molecular weight of 406.89 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 14476307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).