N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide

C14H16N2O4S — CID 138018110

IUPACN-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESO=S(=O)(NCCc1cnoc1)c1cccc2c1OCCC2
InChIInChI=1S/C14H16N2O4S/c17-21(18,16-7-6-11-9-15-20-10-11)13-5-1-3-12-4-2-8-19-14(12)13/h1,3,5,9-10,16H,2,4,6-8H2
InChIKeyARZCQXIGXUOFJG-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.52
Rot. Bonds5

About N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide

N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 138018110) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID138018110
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESO=S(=O)(NCCc1cnoc1)c1cccc2c1OCCC2
InChIInChI=1S/C14H16N2O4S/c17-21(18,16-7-6-11-9-15-20-10-11)13-5-1-3-12-4-2-8-19-14(12)13/h1,3,5,9-10,16H,2,4,6-8H2
InChIKeyARZCQXIGXUOFJG-UHFFFAOYSA-N
XLogP1.52
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-chromene-8-sulfonic acid;hydrochloride
CID 174945642
2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid
CID 138004479
(2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide
CID 122490834
N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 126821064
N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 167819030
N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide
CID 91814434
cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide
CID 146146428
6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337040
N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 126838123
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide
CID 110790458
6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336964
N-(3,4-dihydro-2H-chromen-8-yl)-5-ethylthiophene-2-sulfonamide
CID 110870791

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide (CID 138018110) is N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide is O=S(=O)(NCCc1cnoc1)c1cccc2c1OCCC2.
What is the InChIKey of N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is ARZCQXIGXUOFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-21(18,16-7-6-11-9-15-20-10-11)13-5-1-3-12-4-2-8-19-14(12)13/h1,3,5,9-10,16H,2,4,6-8H2.
What are the key properties of N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide?
N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 138018110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).