4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide

C13H14N2O6S — CID 54715285

IUPAC4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C13H14N2O6S/c1-22(19,20)15-7-6-14-12(17)10-11(16)8-4-2-3-5-9(8)21-13(10)18/h2-5,15-16H,6-7H2,1H3,(H,14,17)
InChIKeyHFFKZWXKSIEMPQ-UHFFFAOYSA-N
MW326.33 g/mol
LogP-0.22
Rot. Bonds5

About 4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide

4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 54715285) has the molecular formula C13H14N2O6S and a molecular weight of 326.33 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide
PubChem CID54715285
Molecular FormulaC13H14N2O6S
Molecular Weight326.33 g/mol
Exact Mass326.06
IUPAC Name4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C13H14N2O6S/c1-22(19,20)15-7-6-14-12(17)10-11(16)8-4-2-3-5-9(8)21-13(10)18/h2-5,15-16H,6-7H2,1H3,(H,14,17)
InChIKeyHFFKZWXKSIEMPQ-UHFFFAOYSA-N
XLogP-0.22
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
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-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54706041
4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 54748267
4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
CID 54695908
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54736250
N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54698718
N-(3-hydroxybutyl)-4-methyl-2-oxochromene-3-carboxamide
CID 111840756
4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one
CID 153315843
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
CID 54677997
3-dodecanoyl-4-hydroxychromen-2-one
CID 54695440
4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)chromene-3-carboxamide
CID 54726652
3-benzyl-4-hydroxychromen-2-one;ethane
CID 91487265

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide (CID 54715285) is 4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide is CS(=O)(=O)NCCNC(=O)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is HFFKZWXKSIEMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6S/c1-22(19,20)15-7-6-14-12(17)10-11(16)8-4-2-3-5-9(8)21-13(10)18/h2-5,15-16H,6-7H2,1H3,(H,14,17).
What are the key properties of 4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide?
4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 326.33 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 54715285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).