2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide

C17H21NO6S — CID 32955601

IUPAC2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCCOC[C@H]3CCCO3)ccc2o1
InChIInChI=1S/C17H21NO6S/c19-17-7-4-13-11-15(5-6-16(13)24-17)25(20,21)18-8-2-9-22-12-14-3-1-10-23-14/h4-7,11,14,18H,1-3,8-10,12H2/t14-/m1/s1
InChIKeyOKUVOHHBVVYDJQ-CQSZACIVSA-N
MW367.42 g/mol
LogP1.66
Rot. Bonds8

About 2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide

2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide (PubChem CID 32955601) has the molecular formula C17H21NO6S and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide
PubChem CID32955601
Molecular FormulaC17H21NO6S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC Name2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCCOC[C@H]3CCCO3)ccc2o1
InChIInChI=1S/C17H21NO6S/c19-17-7-4-13-11-15(5-6-16(13)24-17)25(20,21)18-8-2-9-22-12-14-3-1-10-23-14/h4-7,11,14,18H,1-3,8-10,12H2/t14-/m1/s1
InChIKeyOKUVOHHBVVYDJQ-CQSZACIVSA-N
XLogP1.66
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(oxolan-2-ylmethoxy)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 24511253
3-N-[3-(oxolan-2-ylmethoxy)propyl]benzene-1,3-disulfonamide
CID 55512529
4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
CID 95153822
N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
CID 62664267
N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 24511255
N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide
CID 87024847
2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide
CID 24511243
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]-2-oxochromene-6-sulfonamide
CID 51593029
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
CID 119968249
2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
CID 120721014

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide?
The IUPAC name of 2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide (CID 32955601) is 2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)NCCCOC[C@H]3CCCO3)ccc2o1.
What is the InChIKey of 2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide?
The InChIKey is OKUVOHHBVVYDJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21NO6S/c19-17-7-4-13-11-15(5-6-16(13)24-17)25(20,21)18-8-2-9-22-12-14-3-1-10-23-14/h4-7,11,14,18H,1-3,8-10,12H2/t14-/m1/s1.
What are the key properties of 2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide?
2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide has a molecular weight of 367.42 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide is sourced from PubChem (CID 32955601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).