7-chloro-1-benzofuran-2-sulfonyl chloride

C8H4Cl2O3S — CID 83900451

IUPAC7-chloro-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C8H4Cl2O3S/c9-6-3-1-2-5-4-7(13-8(5)6)14(10,11)12/h1-4H
InChIKeyAFMVVQWMWCJTMF-UHFFFAOYSA-N
MW251.09 g/mol
LogP3.01
Rot. Bonds1

About 7-chloro-1-benzofuran-2-sulfonyl chloride

7-chloro-1-benzofuran-2-sulfonyl chloride (PubChem CID 83900451) has the molecular formula C8H4Cl2O3S and a molecular weight of 251.09 g/mol. Its IUPAC name is 7-chloro-1-benzofuran-2-sulfonyl chloride.

Molecular Properties

Compound Name7-chloro-1-benzofuran-2-sulfonyl chloride
PubChem CID83900451
Molecular FormulaC8H4Cl2O3S
Molecular Weight251.09 g/mol
Exact Mass249.93
IUPAC Name7-chloro-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C8H4Cl2O3S/c9-6-3-1-2-5-4-7(13-8(5)6)14(10,11)12/h1-4H
InChIKeyAFMVVQWMWCJTMF-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-benzofuran-2-sulfonamide
CID 114733064
7-chlorofuro[2,3-c]pyridine-2-sulfonyl chloride
CID 122686239
4-chloro-1-benzofuran-2-sulfonyl chloride
CID 83900452
5,6-dichloro-1-benzofuran-2-sulfonyl chloride
CID 15158735
7-chloro-2-(isocyanomethyl)-1-benzofuran
CID 83484072
(7-chloro-1-benzofuran-2-yl)methanamine
CID 65441087
3-(7-chloro-1-benzofuran-2-yl)propanal
CID 114733142
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
4-hydroxy-1-benzofuran-2-sulfonyl chloride
CID 83895345
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-benzofuran-2-sulfonyl chloride?
The IUPAC name of 7-chloro-1-benzofuran-2-sulfonyl chloride (CID 83900451) is 7-chloro-1-benzofuran-2-sulfonyl chloride.
What is the SMILES notation for 7-chloro-1-benzofuran-2-sulfonyl chloride?
The canonical SMILES for 7-chloro-1-benzofuran-2-sulfonyl chloride is O=S(=O)(Cl)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 7-chloro-1-benzofuran-2-sulfonyl chloride?
The InChIKey is AFMVVQWMWCJTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2O3S/c9-6-3-1-2-5-4-7(13-8(5)6)14(10,11)12/h1-4H.
What are the key properties of 7-chloro-1-benzofuran-2-sulfonyl chloride?
7-chloro-1-benzofuran-2-sulfonyl chloride has a molecular weight of 251.09 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-benzofuran-2-sulfonyl chloride is sourced from PubChem (CID 83900451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).