N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride

C13H17ClN2O4S — CID 119973429

IUPACN-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1.Cl
InChIInChI=1S/C13H16N2O4S.ClH/c1-2-14-7-8-15-20(17,18)11-4-5-12-10(9-11)3-6-13(16)19-12;/h3-6,9,14-15H,2,7-8H2,1H3;1H
InChIKeyWIBKQNCZZALNAX-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.10
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride

N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride (PubChem CID 119973429) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
PubChem CID119973429
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC NameN-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1.Cl
InChIInChI=1S/C13H16N2O4S.ClH/c1-2-14-7-8-15-20(17,18)11-4-5-12-10(9-11)3-6-13(16)19-12;/h3-6,9,14-15H,2,7-8H2,1H3;1H
InChIKeyWIBKQNCZZALNAX-UHFFFAOYSA-N
XLogP1.10
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.10
H-Bond Donors ≤ 52
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-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
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N-(3-hydroxybutyl)-2-oxochromene-6-sulfonamide
CID 64910819
N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide
CID 107319443
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide
CID 87024847
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
CID 24677976
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide
CID 52601505
N-[(4-methoxyphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 42588667
2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide
CID 172906846
6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride
CID 119990207

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride (CID 119973429) is N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride?
The InChIKey is WIBKQNCZZALNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S.ClH/c1-2-14-7-8-15-20(17,18)11-4-5-12-10(9-11)3-6-13(16)19-12;/h3-6,9,14-15H,2,7-8H2,1H3;1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride has a molecular weight of 332.81 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride is sourced from PubChem (CID 119973429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).