2-methyl-1-benzofuran-3-sulfonyl chloride

C9H7ClO3S — CID 167724688

IUPAC2-methyl-1-benzofuran-3-sulfonyl chloride
SMILESCc1oc2ccccc2c1S(=O)(=O)Cl
InChIInChI=1S/C9H7ClO3S/c1-6-9(14(10,11)12)7-4-2-3-5-8(7)13-6/h2-5H,1H3
InChIKeyHYJHFFPAFZVHPV-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.67
Rot. Bonds1

About 2-methyl-1-benzofuran-3-sulfonyl chloride

2-methyl-1-benzofuran-3-sulfonyl chloride (PubChem CID 167724688) has the molecular formula C9H7ClO3S and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-methyl-1-benzofuran-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-1-benzofuran-3-sulfonyl chloride
PubChem CID167724688
Molecular FormulaC9H7ClO3S
Molecular Weight230.67 g/mol
Exact Mass229.98
IUPAC Name2-methyl-1-benzofuran-3-sulfonyl chloride
SMILESCc1oc2ccccc2c1S(=O)(=O)Cl
InChIInChI=1S/C9H7ClO3S/c1-6-9(14(10,11)12)7-4-2-3-5-8(7)13-6/h2-5H,1H3
InChIKeyHYJHFFPAFZVHPV-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzofuran
CID 9223
2,3-Dimethylbenzofuran
CID 2734646
2-Methylbenzofuran
CID 20263
Benzo[b]furan-2-boronic acid
CID 2776266
1-Benzofuran-2-Sulfonamide
CID 10750432
4-(1-Benzofuran-2-yl)benzenesulfonamide
CID 127029022
methyl (2E)-3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479262
2-Ethylbenzofuran
CID 76582
1,2,3,4-Tetrahydrodibenzofuran
CID 139390
2-Butylbenzofuran
CID 77951
Dibenzofuran-2-sulphonic acid
CID 522803
5-Iodo-2-methylbenzofuran
CID 3856046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-benzofuran-3-sulfonyl chloride?
The IUPAC name of 2-methyl-1-benzofuran-3-sulfonyl chloride (CID 167724688) is 2-methyl-1-benzofuran-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-1-benzofuran-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-1-benzofuran-3-sulfonyl chloride is Cc1oc2ccccc2c1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-1-benzofuran-3-sulfonyl chloride?
The InChIKey is HYJHFFPAFZVHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO3S/c1-6-9(14(10,11)12)7-4-2-3-5-8(7)13-6/h2-5H,1H3.
What are the key properties of 2-methyl-1-benzofuran-3-sulfonyl chloride?
2-methyl-1-benzofuran-3-sulfonyl chloride has a molecular weight of 230.67 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-benzofuran-3-sulfonyl chloride is sourced from PubChem (CID 167724688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).