(7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate

C19H17NO6S — CID 4783804

IUPAC(7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate
SMILESCc1ccc2c(COC(=O)CNS(=O)(=O)c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C19H17NO6S/c1-13-7-8-16-14(10-18(21)26-17(16)9-13)12-25-19(22)11-20-27(23,24)15-5-3-2-4-6-15/h2-10,20H,11-12H2,1H3
InChIKeyMBHCPKWRWYSZRC-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.12
Rot. Bonds6

About (7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate

(7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate (PubChem CID 4783804) has the molecular formula C19H17NO6S and a molecular weight of 387.41 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate
PubChem CID4783804
Molecular FormulaC19H17NO6S
Molecular Weight387.41 g/mol
Exact Mass387.08
IUPAC Name(7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate
SMILESCc1ccc2c(COC(=O)CNS(=O)(=O)c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C19H17NO6S/c1-13-7-8-16-14(10-18(21)26-17(16)9-13)12-25-19(22)11-20-27(23,24)15-5-3-2-4-6-15/h2-10,20H,11-12H2,1H3
InChIKeyMBHCPKWRWYSZRC-UHFFFAOYSA-N
XLogP2.12
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate?
The IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate (CID 4783804) is (7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate.
What is the SMILES notation for (7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate?
The canonical SMILES for (7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate is Cc1ccc2c(COC(=O)CNS(=O)(=O)c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of (7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate?
The InChIKey is MBHCPKWRWYSZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S/c1-13-7-8-16-14(10-18(21)26-17(16)9-13)12-25-19(22)11-20-27(23,24)15-5-3-2-4-6-15/h2-10,20H,11-12H2,1H3.
What are the key properties of (7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate?
(7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate has a molecular weight of 387.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxochromen-4-yl)methyl 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 4783804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).