ethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate

C16H18N4O4S — CID 59135753

IUPACethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(N(C)S(=O)(=O)c3nccn3C)c2[nH]1
InChIInChI=1S/C16H18N4O4S/c1-4-24-15(21)12-10-11-6-5-7-13(14(11)18-12)20(3)25(22,23)16-17-8-9-19(16)2/h5-10,18H,4H2,1-3H3
InChIKeyHNYPLZYKEBXARA-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.90
Rot. Bonds5

About ethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate

ethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate (PubChem CID 59135753) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is ethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate
PubChem CID59135753
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Nameethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(N(C)S(=O)(=O)c3nccn3C)c2[nH]1
InChIInChI=1S/C16H18N4O4S/c1-4-24-15(21)12-10-11-6-5-7-13(14(11)18-12)20(3)25(22,23)16-17-8-9-19(16)2/h5-10,18H,4H2,1-3H3
InChIKeyHNYPLZYKEBXARA-UHFFFAOYSA-N
XLogP1.90
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate
CID 142425833
ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate
CID 171663092
acetyl chloride;ethyl 7-acetyl-1H-indole-2-carboxylate
CID 161410841
ethyl 7-prop-2-enyl-1H-indole-2-carboxylate
CID 10398931
ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 19042831
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate
CID 171663080
diethyl 11-ethyl-4,11,18-triazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-5,17-dicarboxylate
CID 177492288
ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate
CID 86612303
ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 22515821
ethyl 7-methyl-1,10-dihydropyrrolo[2,3-a]carbazole-2-carboxylate
CID 11358301

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate (CID 59135753) is ethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cccc(N(C)S(=O)(=O)c3nccn3C)c2[nH]1.
What is the InChIKey of ethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate?
The InChIKey is HNYPLZYKEBXARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-4-24-15(21)12-10-11-6-5-7-13(14(11)18-12)20(3)25(22,23)16-17-8-9-19(16)2/h5-10,18H,4H2,1-3H3.
What are the key properties of ethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate?
ethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[methyl-(1-methylimidazol-2-yl)sulfonylamino]-1H-indole-2-carboxylate is sourced from PubChem (CID 59135753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).