2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide

C14H11NO4S2 — CID 2987974

IUPAC2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCc3cccs3)ccc2o1
InChIInChI=1S/C14H11NO4S2/c16-14-6-3-10-8-12(4-5-13(10)19-14)21(17,18)15-9-11-2-1-7-20-11/h1-8,15H,9H2
InChIKeyYTDIUNLYFHVMLV-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.33
Rot. Bonds4

About 2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide

2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide (PubChem CID 2987974) has the molecular formula C14H11NO4S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
PubChem CID2987974
Molecular FormulaC14H11NO4S2
Molecular Weight321.38 g/mol
Exact Mass321.01
IUPAC Name2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCc3cccs3)ccc2o1
InChIInChI=1S/C14H11NO4S2/c16-14-6-3-10-8-12(4-5-13(10)19-14)21(17,18)15-9-11-2-1-7-20-11/h1-8,15H,9H2
InChIKeyYTDIUNLYFHVMLV-UHFFFAOYSA-N
XLogP2.33
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.33
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

3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669
N-[(4-methoxyphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 42588667
2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide
CID 62143229
N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 81258558
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
CID 24677976
N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide
CID 107319443
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide?
The IUPAC name of 2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide (CID 2987974) is 2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)NCc3cccs3)ccc2o1.
What is the InChIKey of 2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide?
The InChIKey is YTDIUNLYFHVMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S2/c16-14-6-3-10-8-12(4-5-13(10)19-14)21(17,18)15-9-11-2-1-7-20-11/h1-8,15H,9H2.
What are the key properties of 2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide?
2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide has a molecular weight of 321.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide is sourced from PubChem (CID 2987974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).