7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride

C8H6ClNO5S — CID 18526153

IUPAC7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)cc2c1OCC2
InChIInChI=1S/C8H6ClNO5S/c9-16(13,14)6-3-5-1-2-15-8(5)7(4-6)10(11)12/h3-4H,1-2H2
InChIKeyKFYKLVMQGONPLM-UHFFFAOYSA-N
MW263.66 g/mol
LogP1.46
Rot. Bonds2

About 7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride

7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride (PubChem CID 18526153) has the molecular formula C8H6ClNO5S and a molecular weight of 263.66 g/mol. Its IUPAC name is 7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride.

Molecular Properties

Compound Name7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
PubChem CID18526153
Molecular FormulaC8H6ClNO5S
Molecular Weight263.66 g/mol
Exact Mass262.97
IUPAC Name7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)cc2c1OCC2
InChIInChI=1S/C8H6ClNO5S/c9-16(13,14)6-3-5-1-2-15-8(5)7(4-6)10(11)12/h3-4H,1-2H2
InChIKeyKFYKLVMQGONPLM-UHFFFAOYSA-N
XLogP1.46
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
The IUPAC name of 7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride (CID 18526153) is 7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride.
What is the SMILES notation for 7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
The canonical SMILES for 7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride is O=[N+]([O-])c1cc(S(=O)(=O)Cl)cc2c1OCC2.
What is the InChIKey of 7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
The InChIKey is KFYKLVMQGONPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO5S/c9-16(13,14)6-3-5-1-2-15-8(5)7(4-6)10(11)12/h3-4H,1-2H2.
What are the key properties of 7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride has a molecular weight of 263.66 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride is sourced from PubChem (CID 18526153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).