5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride

C10H10Cl2O3S — CID 86113424

IUPAC5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride
SMILESCC1(C)Cc2cc(Cl)cc(S(=O)(=O)Cl)c2O1
InChIInChI=1S/C10H10Cl2O3S/c1-10(2)5-6-3-7(11)4-8(9(6)15-10)16(12,13)14/h3-4H,5H2,1-2H3
InChIKeyBVMQPMDYIWCZTO-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.98
Rot. Bonds1

About 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride

5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride (PubChem CID 86113424) has the molecular formula C10H10Cl2O3S and a molecular weight of 281.16 g/mol. Its IUPAC name is 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride
PubChem CID86113424
Molecular FormulaC10H10Cl2O3S
Molecular Weight281.16 g/mol
Exact Mass279.97
IUPAC Name5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride
SMILESCC1(C)Cc2cc(Cl)cc(S(=O)(=O)Cl)c2O1
InChIInChI=1S/C10H10Cl2O3S/c1-10(2)5-6-3-7(11)4-8(9(6)15-10)16(12,13)14/h3-4H,5H2,1-2H3
InChIKeyBVMQPMDYIWCZTO-UHFFFAOYSA-N
XLogP2.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride?
The IUPAC name of 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride (CID 86113424) is 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride.
What is the SMILES notation for 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride?
The canonical SMILES for 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride is CC1(C)Cc2cc(Cl)cc(S(=O)(=O)Cl)c2O1.
What is the InChIKey of 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride?
The InChIKey is BVMQPMDYIWCZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3S/c1-10(2)5-6-3-7(11)4-8(9(6)15-10)16(12,13)14/h3-4H,5H2,1-2H3.
What are the key properties of 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride?
5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride has a molecular weight of 281.16 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride is sourced from PubChem (CID 86113424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).