5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide

C20H19ClN2O5S — CID 50778794

IUPAC5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1c(N2CCCC2)c2ccccc2oc1=O
InChIInChI=1S/C20H19ClN2O5S/c1-27-16-9-8-13(21)12-17(16)29(25,26)22-18-19(23-10-4-5-11-23)14-6-2-3-7-15(14)28-20(18)24/h2-3,6-9,12,22H,4-5,10-11H2,1H3
InChIKeyNXWNKBUUHKORRG-UHFFFAOYSA-N
MW434.90 g/mol
LogP3.86
Rot. Bonds5

About 5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide

5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide (PubChem CID 50778794) has the molecular formula C20H19ClN2O5S and a molecular weight of 434.90 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
PubChem CID50778794
Molecular FormulaC20H19ClN2O5S
Molecular Weight434.90 g/mol
Exact Mass434.07
IUPAC Name5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1c(N2CCCC2)c2ccccc2oc1=O
InChIInChI=1S/C20H19ClN2O5S/c1-27-16-9-8-13(21)12-17(16)29(25,26)22-18-19(23-10-4-5-11-23)14-6-2-3-7-15(14)28-20(18)24/h2-3,6-9,12,22H,4-5,10-11H2,1H3
InChIKeyNXWNKBUUHKORRG-UHFFFAOYSA-N
XLogP3.86
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778716
3-chloro-4-methyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778713
5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide
CID 50778768
4-bromo-2-methyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778841
4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778807
5-chloro-N-dibenzofuran-3-yl-2-methoxybenzenesulfonamide
CID 100554095
N-[4-(azepan-1-yl)phenyl]-5-chloro-2-methoxybenzenesulfonamide
CID 112985795
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298753
5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113009843
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide (CID 50778794) is 5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1c(N2CCCC2)c2ccccc2oc1=O.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide?
The InChIKey is NXWNKBUUHKORRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S/c1-27-16-9-8-13(21)12-17(16)29(25,26)22-18-19(23-10-4-5-11-23)14-6-2-3-7-15(14)28-20(18)24/h2-3,6-9,12,22H,4-5,10-11H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide has a molecular weight of 434.90 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide is sourced from PubChem (CID 50778794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).