N-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide

C13H16N2O4S — CID 6624694

IUPACN-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide
SMILESCCNc1c(NS(=O)(=O)CC)c(=O)oc2ccccc12
InChIInChI=1S/C13H16N2O4S/c1-3-14-11-9-7-5-6-8-10(9)19-13(16)12(11)15-20(17,18)4-2/h5-8,14-15H,3-4H2,1-2H3
InChIKeyOONSFIUNLRUZNN-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.99
Rot. Bonds5

About N-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide

N-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide (PubChem CID 6624694) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide
PubChem CID6624694
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide
SMILESCCNc1c(NS(=O)(=O)CC)c(=O)oc2ccccc12
InChIInChI=1S/C13H16N2O4S/c1-3-14-11-9-7-5-6-8-10(9)19-13(16)12(11)15-20(17,18)4-2/h5-8,14-15H,3-4H2,1-2H3
InChIKeyOONSFIUNLRUZNN-UHFFFAOYSA-N
XLogP1.99
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide?
The IUPAC name of N-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide (CID 6624694) is N-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide is CCNc1c(NS(=O)(=O)CC)c(=O)oc2ccccc12.
What is the InChIKey of N-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide?
The InChIKey is OONSFIUNLRUZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-3-14-11-9-7-5-6-8-10(9)19-13(16)12(11)15-20(17,18)4-2/h5-8,14-15H,3-4H2,1-2H3.
What are the key properties of N-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide?
N-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)-2-oxochromen-3-yl]ethanesulfonamide is sourced from PubChem (CID 6624694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).