N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide

C15H19NO5S — CID 87024847

IUPACN-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide
SMILESCC(C)COCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H19NO5S/c1-11(2)10-20-8-7-16-22(18,19)13-4-5-14-12(9-13)3-6-15(17)21-14/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeyWPOFTHWOYWXMNK-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.74
Rot. Bonds7

About N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide

N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide (PubChem CID 87024847) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide
PubChem CID87024847
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide
SMILESCC(C)COCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H19NO5S/c1-11(2)10-20-8-7-16-22(18,19)13-4-5-14-12(9-13)3-6-15(17)21-14/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeyWPOFTHWOYWXMNK-UHFFFAOYSA-N
XLogP1.74
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxybutyl)-2-oxochromene-6-sulfonamide
CID 64910819
N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide
CID 134062008
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide
CID 107319443
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
CID 62664267
N-[(4-methoxyphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 42588667
2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide
CID 32955601
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
3-N-[2-(2-methylpropoxy)ethyl]benzene-1,3-disulfonamide
CID 115588283
3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide
CID 134002352

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide (CID 87024847) is N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide is CC(C)COCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide?
The InChIKey is WPOFTHWOYWXMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-11(2)10-20-8-7-16-22(18,19)13-4-5-14-12(9-13)3-6-15(17)21-14/h3-6,9,11,16H,7-8,10H2,1-2H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide?
N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 87024847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).