N-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide

C10H11NO5S2 — CID 90081202

IUPACN-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1oc(-c2cccs2)c(O)c1O
InChIInChI=1S/C10H11NO5S2/c1-2-18(14,15)11-10-8(13)7(12)9(16-10)6-4-3-5-17-6/h3-5,11-13H,2H2,1H3
InChIKeySUNGVFFHITVRRC-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.18
Rot. Bonds4

About N-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide

N-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide (PubChem CID 90081202) has the molecular formula C10H11NO5S2 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide
PubChem CID90081202
Molecular FormulaC10H11NO5S2
Molecular Weight289.33 g/mol
Exact Mass289.01
IUPAC NameN-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1oc(-c2cccs2)c(O)c1O
InChIInChI=1S/C10H11NO5S2/c1-2-18(14,15)11-10-8(13)7(12)9(16-10)6-4-3-5-17-6/h3-5,11-13H,2H2,1H3
InChIKeySUNGVFFHITVRRC-UHFFFAOYSA-N
XLogP2.18
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-butoxyphenyl)-5-(methylamino)-2-thiophen-2-ylfuran-3-ol
CID 54458578
N-(2-thiophen-2-ylphenyl)propane-1-sulfonamide
CID 60705383
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 110323231
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide
CID 110641335
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide
CID 121166355
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran
CID 14196383
2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119689999
4-(4-ethyl-N,3-dimethylanilino)-2-thiophen-2-ylfuran-3-ol
CID 54167103
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide
CID 174364946

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide?
The IUPAC name of N-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide (CID 90081202) is N-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide?
The canonical SMILES for N-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide is CCS(=O)(=O)Nc1oc(-c2cccs2)c(O)c1O.
What is the InChIKey of N-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide?
The InChIKey is SUNGVFFHITVRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S2/c1-2-18(14,15)11-10-8(13)7(12)9(16-10)6-4-3-5-17-6/h3-5,11-13H,2H2,1H3.
What are the key properties of N-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide?
N-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide has a molecular weight of 289.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxy-5-thiophen-2-ylfuran-2-yl)ethanesulfonamide is sourced from PubChem (CID 90081202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).