2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide

C19H15N3O4S — CID 24677947

IUPAC2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCc3cnn(-c4ccccc4)c3)ccc2o1
InChIInChI=1S/C19H15N3O4S/c23-19-9-6-15-10-17(7-8-18(15)26-19)27(24,25)21-12-14-11-20-22(13-14)16-4-2-1-3-5-16/h1-11,13,21H,12H2
InChIKeyZRLFWBODTSAHBI-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.46
Rot. Bonds5

About 2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide

2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide (PubChem CID 24677947) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide
PubChem CID24677947
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCc3cnn(-c4ccccc4)c3)ccc2o1
InChIInChI=1S/C19H15N3O4S/c23-19-9-6-15-10-17(7-8-18(15)26-19)27(24,25)21-12-14-11-20-22(13-14)16-4-2-1-3-5-16/h1-11,13,21H,12H2
InChIKeyZRLFWBODTSAHBI-UHFFFAOYSA-N
XLogP2.46
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 42588667
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 2987974
4-methoxy-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 16962865
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55813430
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 31111062
2,3,4-trifluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 31841722
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
4-chloro-2-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 37262748
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 134017774

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide?
The IUPAC name of 2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide (CID 24677947) is 2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)NCc3cnn(-c4ccccc4)c3)ccc2o1.
What is the InChIKey of 2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide?
The InChIKey is ZRLFWBODTSAHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c23-19-9-6-15-10-17(7-8-18(15)26-19)27(24,25)21-12-14-11-20-22(13-14)16-4-2-1-3-5-16/h1-11,13,21H,12H2.
What are the key properties of 2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide?
2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide has a molecular weight of 381.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]chromene-6-sulfonamide is sourced from PubChem (CID 24677947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).