N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide

C12H13NO5S — CID 54879507

IUPACN-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C12H13NO5S/c1-13(6-7-14)19(16,17)10-3-4-11-9(8-10)2-5-12(15)18-11/h2-5,8,14H,6-7H2,1H3
InChIKeyUPNWXWUIIHQDSR-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.41
Rot. Bonds4

About N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide

N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide (PubChem CID 54879507) has the molecular formula C12H13NO5S and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide
PubChem CID54879507
Molecular FormulaC12H13NO5S
Molecular Weight283.31 g/mol
Exact Mass283.05
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C12H13NO5S/c1-13(6-7-14)19(16,17)10-3-4-11-9(8-10)2-5-12(15)18-11/h2-5,8,14H,6-7H2,1H3
InChIKeyUPNWXWUIIHQDSR-UHFFFAOYSA-N
XLogP0.41
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 31534344
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide
CID 31534598
6-(2-oxochromen-6-yl)sulfonylchromen-2-one
CID 15353044
N-(azetidin-3-yl)-N-methyl-2-oxochromene-6-sulfonamide
CID 66186859
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-oxochromene-6-sulfonamide
CID 31534328
N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide
CID 24677974
N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide
CID 30713094
N-methyl-2-oxo-N-(thian-4-yl)chromene-6-sulfonamide
CID 171913334
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide
CID 107319443
2-hydrazinyl-N-(2-hydroxyethyl)-N-methylquinoline-6-sulfonamide
CID 60961716
7-[2-hydroxyethyl(methyl)amino]chromen-2-one
CID 87789363

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide (CID 54879507) is N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide is CN(CCO)S(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide?
The InChIKey is UPNWXWUIIHQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S/c1-13(6-7-14)19(16,17)10-3-4-11-9(8-10)2-5-12(15)18-11/h2-5,8,14H,6-7H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide?
N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide has a molecular weight of 283.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 54879507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).