sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide

C19H15ClNNaO6S2 — CID 75464813

IUPACsodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide
SMILESCc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)[N-]c1occ(C)c1Cl)OCO2.[Na+]
InChIInChI=1S/C19H15ClNO6S2.Na/c1-10-5-14-15(27-9-26-14)7-12(10)6-13(22)18-16(3-4-28-18)29(23,24)21-19-17(20)11(2)8-25-19;/h3-5,7-8H,6,9H2,1-2H3;/q-1;+1
InChIKeyVBMKDGGNCUOCCI-UHFFFAOYSA-N
MW475.91 g/mol
LogP2.16
Rot. Bonds6

About sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide

sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide (PubChem CID 75464813) has the molecular formula C19H15ClNNaO6S2 and a molecular weight of 475.91 g/mol. Its IUPAC name is sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide.

Molecular Properties

Compound Namesodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide
PubChem CID75464813
Molecular FormulaC19H15ClNNaO6S2
Molecular Weight475.91 g/mol
Exact Mass474.99
IUPAC Namesodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide
SMILESCc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)[N-]c1occ(C)c1Cl)OCO2.[Na+]
InChIInChI=1S/C19H15ClNO6S2.Na/c1-10-5-14-15(27-9-26-14)7-12(10)6-13(22)18-16(3-4-28-18)29(23,24)21-19-17(20)11(2)8-25-19;/h3-5,7-8H,6,9H2,1-2H3;/q-1;+1
InChIKeyVBMKDGGNCUOCCI-UHFFFAOYSA-N
XLogP2.16
TPSA96.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.91
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide?
The IUPAC name of sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide (CID 75464813) is sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide.
What is the SMILES notation for sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide?
The canonical SMILES for sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide is Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)[N-]c1occ(C)c1Cl)OCO2.[Na+].
What is the InChIKey of sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide?
The InChIKey is VBMKDGGNCUOCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClNO6S2.Na/c1-10-5-14-15(27-9-26-14)7-12(10)6-13(22)18-16(3-4-28-18)29(23,24)21-19-17(20)11(2)8-25-19;/h3-5,7-8H,6,9H2,1-2H3;/q-1;+1.
What are the key properties of sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide?
sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide has a molecular weight of 475.91 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide is sourced from PubChem (CID 75464813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).