2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid

C7H5Cl2NO4S — CID 1479657

IUPAC2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid
SMILESO=C(O)CS(=O)(=O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO4S/c8-4-1-5(9)7(10-2-4)15(13,14)3-6(11)12/h1-2H,3H2,(H,11,12)
InChIKeyKVNKMVWBPSKPEO-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.25
Rot. Bonds3

About 2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid

2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid (PubChem CID 1479657) has the molecular formula C7H5Cl2NO4S and a molecular weight of 270.09 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid
PubChem CID1479657
Molecular FormulaC7H5Cl2NO4S
Molecular Weight270.09 g/mol
Exact Mass268.93
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid
SMILESO=C(O)CS(=O)(=O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO4S/c8-4-1-5(9)7(10-2-4)15(13,14)3-6(11)12/h1-2H,3H2,(H,11,12)
InChIKeyKVNKMVWBPSKPEO-UHFFFAOYSA-N
XLogP1.25
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetate
CID 1479651
3-Chloro-2-methanesulfonylpyridine
CID 13433425
2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-sulfanyl}acetic acid
CID 2773906
5-Chloro-2-(ethanesulfonyl)pyridine
CID 23145153
Ethyl {[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfonyl}acetate
CID 22425598
2-[(3-Chloro-2-pyridinyl)sulfonyl]propanamide
CID 51085725
2-Fluoro-2-pyridin-2-ylsulfonylacetic acid
CID 169034274
5-Chloro-3-ethylsulfonyl-2-fluoropyridine
CID 176653865
[(2-Chloro-3-pyridinyl)sulfanyl]acetic acid
CID 902026
Methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfonylacetate
CID 4417331
3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]thio}propanoic acid
CID 24701173
2-(3-Chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)propionic acid
CID 24710067

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid (CID 1479657) is 2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid is O=C(O)CS(=O)(=O)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid?
The InChIKey is KVNKMVWBPSKPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO4S/c8-4-1-5(9)7(10-2-4)15(13,14)3-6(11)12/h1-2H,3H2,(H,11,12).
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid?
2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid has a molecular weight of 270.09 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)sulfonyl]acetic acid is sourced from PubChem (CID 1479657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).