4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C11H11ClO4S — CID 16771128

IUPAC4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2c(c(S(=O)(=O)Cl)c1)CCCC2
InChIInChI=1S/C11H11ClO4S/c12-17(15,16)10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h5-6H,1-4H2,(H,13,14)
InChIKeyFZPRSOYKFSNRSK-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.19
Rot. Bonds2

About 4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 16771128) has the molecular formula C11H11ClO4S and a molecular weight of 274.72 g/mol. Its IUPAC name is 4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID16771128
Molecular FormulaC11H11ClO4S
Molecular Weight274.72 g/mol
Exact Mass274.01
IUPAC Name4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2c(c(S(=O)(=O)Cl)c1)CCCC2
InChIInChI=1S/C11H11ClO4S/c12-17(15,16)10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h5-6H,1-4H2,(H,13,14)
InChIKeyFZPRSOYKFSNRSK-UHFFFAOYSA-N
XLogP2.19
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 16771128) is 4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1cc2c(c(S(=O)(=O)Cl)c1)CCCC2.
What is the InChIKey of 4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is FZPRSOYKFSNRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO4S/c12-17(15,16)10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h5-6H,1-4H2,(H,13,14).
What are the key properties of 4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 274.72 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 16771128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).