4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid

C7H8ClNO4S2 — CID 170702480

IUPAC4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)c1csc(Cl)n1
InChIInChI=1S/C7H8ClNO4S2/c8-7-9-5(4-14-7)15(12,13)3-1-2-6(10)11/h4H,1-3H2,(H,10,11)
InChIKeyVDHKCDCRVQGHLV-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.43
Rot. Bonds5

About 4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid

4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid (PubChem CID 170702480) has the molecular formula C7H8ClNO4S2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid
PubChem CID170702480
Molecular FormulaC7H8ClNO4S2
Molecular Weight269.73 g/mol
Exact Mass268.96
IUPAC Name4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)c1csc(Cl)n1
InChIInChI=1S/C7H8ClNO4S2/c8-7-9-5(4-14-7)15(12,13)3-1-2-6(10)11/h4H,1-3H2,(H,10,11)
InChIKeyVDHKCDCRVQGHLV-UHFFFAOYSA-N
XLogP1.43
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid (CID 170702480) is 4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid is O=C(O)CCCS(=O)(=O)c1csc(Cl)n1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid?
The InChIKey is VDHKCDCRVQGHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO4S2/c8-7-9-5(4-14-7)15(12,13)3-1-2-6(10)11/h4H,1-3H2,(H,10,11).
What are the key properties of 4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid?
4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid has a molecular weight of 269.73 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-4-yl)sulfonyl]butanoic acid is sourced from PubChem (CID 170702480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).