2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid

C6H5ClO5S2 — CID 140997856

IUPAC2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid
SMILESO=C(O)COc1sccc1S(=O)(=O)Cl
InChIInChI=1S/C6H5ClO5S2/c7-14(10,11)4-1-2-13-6(4)12-3-5(8)9/h1-2H,3H2,(H,8,9)
InChIKeyBYVHQBAURVXRHB-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.14
Rot. Bonds4

About 2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid

2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid (PubChem CID 140997856) has the molecular formula C6H5ClO5S2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid
PubChem CID140997856
Molecular FormulaC6H5ClO5S2
Molecular Weight256.69 g/mol
Exact Mass255.93
IUPAC Name2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid
SMILESO=C(O)COc1sccc1S(=O)(=O)Cl
InChIInChI=1S/C6H5ClO5S2/c7-14(10,11)4-1-2-13-6(4)12-3-5(8)9/h1-2H,3H2,(H,8,9)
InChIKeyBYVHQBAURVXRHB-UHFFFAOYSA-N
XLogP1.14
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxythiophene-3-sulfonyl chloride
CID 18769960
2-(2-chlorosulfonylphenoxy)acetic acid
CID 54560500
propyl 3-chlorosulfonylthiophene-2-carboxylate
CID 22417293
2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid
CID 87966564
2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid
CID 130510934
2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
CID 115596203
2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid
CID 70446965
chloromethane;2-phenoxyacetic acid
CID 157255542
2-[2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 11515553
2-[2-(aminomethyl)-3-thiophen-2-ylsulfonylphenoxy]acetic acid
CID 69480625
2-(2-ethylsulfonylphenoxy)acetic acid
CID 114335185
4-(2,3-dichloro-4-chlorosulfonylphenoxy)butanoic acid
CID 43247032

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid?
The IUPAC name of 2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid (CID 140997856) is 2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid?
The canonical SMILES for 2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid is O=C(O)COc1sccc1S(=O)(=O)Cl.
What is the InChIKey of 2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid?
The InChIKey is BYVHQBAURVXRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO5S2/c7-14(10,11)4-1-2-13-6(4)12-3-5(8)9/h1-2H,3H2,(H,8,9).
What are the key properties of 2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid?
2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid has a molecular weight of 256.69 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid is sourced from PubChem (CID 140997856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).