N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide

C15H17NO4S — CID 24677974

IUPACN-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H17NO4S/c1-10(11-3-4-11)16(2)21(18,19)13-6-7-14-12(9-13)5-8-15(17)20-14/h5-11H,3-4H2,1-2H3
InChIKeyVCQLUTYIEUHWML-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.21
Rot. Bonds4

About N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide

N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide (PubChem CID 24677974) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide
PubChem CID24677974
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H17NO4S/c1-10(11-3-4-11)16(2)21(18,19)13-6-7-14-12(9-13)5-8-15(17)20-14/h5-11H,3-4H2,1-2H3
InChIKeyVCQLUTYIEUHWML-UHFFFAOYSA-N
XLogP2.21
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide (CID 24677974) is N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide is CC(C1CC1)N(C)S(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide?
The InChIKey is VCQLUTYIEUHWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-10(11-3-4-11)16(2)21(18,19)13-6-7-14-12(9-13)5-8-15(17)20-14/h5-11H,3-4H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide?
N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 24677974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).