4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide

C21H22N2O4S — CID 50778807

IUPAC4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(N3CCCC3)c3ccccc3oc2=O)cc1
InChIInChI=1S/C21H22N2O4S/c1-2-15-9-11-16(12-10-15)28(25,26)22-19-20(23-13-5-6-14-23)17-7-3-4-8-18(17)27-21(19)24/h3-4,7-12,22H,2,5-6,13-14H2,1H3
InChIKeyFCWBCGGZZGUQBG-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.76
Rot. Bonds5

About 4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide

4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide (PubChem CID 50778807) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
PubChem CID50778807
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(N3CCCC3)c3ccccc3oc2=O)cc1
InChIInChI=1S/C21H22N2O4S/c1-2-15-9-11-16(12-10-15)28(25,26)22-19-20(23-13-5-6-14-23)17-7-3-4-8-18(17)27-21(19)24/h3-4,7-12,22H,2,5-6,13-14H2,1H3
InChIKeyFCWBCGGZZGUQBG-UHFFFAOYSA-N
XLogP3.76
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
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 4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide (CID 50778807) is 4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2c(N3CCCC3)c3ccccc3oc2=O)cc1.
What is the InChIKey of 4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide?
The InChIKey is FCWBCGGZZGUQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-2-15-9-11-16(12-10-15)28(25,26)22-19-20(23-13-5-6-14-23)17-7-3-4-8-18(17)27-21(19)24/h3-4,7-12,22H,2,5-6,13-14H2,1H3.
What are the key properties of 4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide?
4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide is sourced from PubChem (CID 50778807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).