2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran

C16H10N2O8S — CID 6382273

IUPAC2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(/C=C(\c2ccc([N+](=O)[O-])o2)S(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C16H10N2O8S/c19-17(20)15-8-6-11(25-15)10-14(13-7-9-16(26-13)18(21)22)27(23,24)12-4-2-1-3-5-12/h1-10H/b14-10+
InChIKeySTDKPKUCUGOEAT-GXDHUFHOSA-N
MW390.33 g/mol
LogP3.66
Rot. Bonds6

About 2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran

2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran (PubChem CID 6382273) has the molecular formula C16H10N2O8S and a molecular weight of 390.33 g/mol. Its IUPAC name is 2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran.

Molecular Properties

Compound Name2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran
PubChem CID6382273
Molecular FormulaC16H10N2O8S
Molecular Weight390.33 g/mol
Exact Mass390.02
IUPAC Name2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(/C=C(\c2ccc([N+](=O)[O-])o2)S(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C16H10N2O8S/c19-17(20)15-8-6-11(25-15)10-14(13-7-9-16(26-13)18(21)22)27(23,24)12-4-2-1-3-5-12/h1-10H/b14-10+
InChIKeySTDKPKUCUGOEAT-GXDHUFHOSA-N
XLogP3.66
TPSA146.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzodioxole
CID 171976500
methyl 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate
CID 5358937
methyl (E)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enoate
CID 20519566
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
(E)-2-[(5-nitrofuran-2-carbonyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148599
(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
CID 6934520
(E)-3-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)prop-2-enal
CID 88837432
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
2-[1-(1,3-benzothiazol-2-yl)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzothiazole
CID 4051083
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
1-[(Z)-2-(5-bromofuran-2-yl)-1-(5-nitrofuran-2-yl)ethenyl]pyridin-1-ium perchlorate
CID 45043415
1-[(Z)-2-(5-bromofuran-2-yl)-1-(5-nitrofuran-2-yl)ethenyl]pyridin-1-ium;perchloric acid
CID 126957158

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran?
The IUPAC name of 2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran (CID 6382273) is 2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran.
What is the SMILES notation for 2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran?
The canonical SMILES for 2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran is O=[N+]([O-])c1ccc(/C=C(\c2ccc([N+](=O)[O-])o2)S(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran?
The InChIKey is STDKPKUCUGOEAT-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H10N2O8S/c19-17(20)15-8-6-11(25-15)10-14(13-7-9-16(26-13)18(21)22)27(23,24)12-4-2-1-3-5-12/h1-10H/b14-10+.
What are the key properties of 2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran?
2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran has a molecular weight of 390.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran is sourced from PubChem (CID 6382273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).