ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate

C14H18N4O4S — CID 167761101

IUPACethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc[nH]c1NS(=O)(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C14H18N4O4S/c1-4-22-14(19)11-7-8-15-13(11)17-23(20,21)10-5-6-12(16-9-10)18(2)3/h5-9,15,17H,4H2,1-3H3
InChIKeyZOXGKAQJJGRURQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.45
Rot. Bonds6

About ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate

ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate (PubChem CID 167761101) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate
PubChem CID167761101
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Nameethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc[nH]c1NS(=O)(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C14H18N4O4S/c1-4-22-14(19)11-7-8-15-13(11)17-23(20,21)10-5-6-12(16-9-10)18(2)3/h5-9,15,17H,4H2,1-3H3
InChIKeyZOXGKAQJJGRURQ-UHFFFAOYSA-N
XLogP1.45
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate (CID 167761101) is ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc[nH]c1NS(=O)(=O)c1ccc(N(C)C)nc1.
What is the InChIKey of ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate?
The InChIKey is ZOXGKAQJJGRURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-4-22-14(19)11-7-8-15-13(11)17-23(20,21)10-5-6-12(16-9-10)18(2)3/h5-9,15,17H,4H2,1-3H3.
What are the key properties of ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate?
ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 167761101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).