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

C19H17FN2O4S — CID 50778740

IUPAC4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
SMILESO=c1oc2ccccc2c(N2CCCC2)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O4S/c20-13-7-9-14(10-8-13)27(24,25)21-17-18(22-11-3-4-12-22)15-5-1-2-6-16(15)26-19(17)23/h1-2,5-10,21H,3-4,11-12H2
InChIKeyVDPAOUGJUYKHOX-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.33
Rot. Bonds4

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

4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide (PubChem CID 50778740) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
PubChem CID50778740
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Name4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
SMILESO=c1oc2ccccc2c(N2CCCC2)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O4S/c20-13-7-9-14(10-8-13)27(24,25)21-17-18(22-11-3-4-12-22)15-5-1-2-6-16(15)26-19(17)23/h1-2,5-10,21H,3-4,11-12H2
InChIKeyVDPAOUGJUYKHOX-UHFFFAOYSA-N
XLogP3.33
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.33
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-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide (CID 50778740) is 4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide is O=c1oc2ccccc2c(N2CCCC2)c1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide?
The InChIKey is VDPAOUGJUYKHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c20-13-7-9-14(10-8-13)27(24,25)21-17-18(22-11-3-4-12-22)15-5-1-2-6-16(15)26-19(17)23/h1-2,5-10,21H,3-4,11-12H2.
What are the key properties of 4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide?
4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide has a molecular weight of 388.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide is sourced from PubChem (CID 50778740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).