ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate

C15H14N2O4S — CID 66667458

IUPACethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccccc2n2cc(S(N)(=O)=O)ccc12
InChIInChI=1S/C15H14N2O4S/c1-2-21-15(18)14-11-5-3-4-6-12(11)17-9-10(22(16,19)20)7-8-13(14)17/h3-9H,2H2,1H3,(H2,16,19,20)
InChIKeyJAZSWQPXBVEXMK-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.92
Rot. Bonds3

About ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate

ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667458) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Nameethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate
PubChem CID66667458
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Nameethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccccc2n2cc(S(N)(=O)=O)ccc12
InChIInChI=1S/C15H14N2O4S/c1-2-21-15(18)14-11-5-3-4-6-12(11)17-9-10(22(16,19)20)7-8-13(14)17/h3-9H,2H2,1H3,(H2,16,19,20)
InChIKeyJAZSWQPXBVEXMK-UHFFFAOYSA-N
XLogP1.92
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-(2-methoxyethylsulfonyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667770
4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid
CID 69058213
ethyl 7-[1-(dimethylamino)-4-hydroxybutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 66666885
prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate
CID 66667210
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
N,N-dimethyl-2-(7-methylsulfinylpyrido[1,2-a]indole-10-carbonyl)oxyethanamine oxide
CID 87097296
ethyl 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pyrido[1,2-a]indole-10-carboxylate
CID 66667453
ethyl 5-(3-chlorophenyl)indolo[2,1-a]isoquinoline-12-carboxylate
CID 142752138
ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate
CID 122209885
methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667573
propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666986
2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate
CID 66667646

Frequently Asked Questions

What is the IUPAC name of ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate (CID 66667458) is ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate is CCOC(=O)c1c2ccccc2n2cc(S(N)(=O)=O)ccc12.
What is the InChIKey of ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate?
The InChIKey is JAZSWQPXBVEXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-2-21-15(18)14-11-5-3-4-6-12(11)17-9-10(22(16,19)20)7-8-13(14)17/h3-9H,2H2,1H3,(H2,16,19,20).
What are the key properties of ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate?
ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate has a molecular weight of 318.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).