1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid

C8H13ClO4S — CID 22646698

IUPAC1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CS(=O)(=O)Cl)CCCCC1
InChIInChI=1S/C8H13ClO4S/c9-14(12,13)6-8(7(10)11)4-2-1-3-5-8/h1-6H2,(H,10,11)
InChIKeyQZUUPPCPUIOSHC-UHFFFAOYSA-N
MW240.71 g/mol
LogP1.59
Rot. Bonds3

About 1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid

1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 22646698) has the molecular formula C8H13ClO4S and a molecular weight of 240.71 g/mol. Its IUPAC name is 1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid
PubChem CID22646698
Molecular FormulaC8H13ClO4S
Molecular Weight240.71 g/mol
Exact Mass240.02
IUPAC Name1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CS(=O)(=O)Cl)CCCCC1
InChIInChI=1S/C8H13ClO4S/c9-14(12,13)6-8(7(10)11)4-2-1-3-5-8/h1-6H2,(H,10,11)
InChIKeyQZUUPPCPUIOSHC-UHFFFAOYSA-N
XLogP1.59
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 19091044
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1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 114806899
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
CID 3060307
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-(sulfanylmethyl)cyclopentane-1-carboxylic acid
CID 123782340
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
(3-acetyl-1-methylpiperidin-3-yl)methanesulfonyl chloride
CID 58964387
1-(2-propan-2-ylsulfonylethyl)cyclohexane-1-carboxylic acid
CID 106727790
1-(2-propan-2-ylsulfonylethyl)cycloheptane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid (CID 22646698) is 1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid is O=C(O)C1(CS(=O)(=O)Cl)CCCCC1.
What is the InChIKey of 1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is QZUUPPCPUIOSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO4S/c9-14(12,13)6-8(7(10)11)4-2-1-3-5-8/h1-6H2,(H,10,11).
What are the key properties of 1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid?
1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 240.71 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22646698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).