1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid

C10H11NO4S — CID 116855391

IUPAC1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)c2ccncc2)CCC1
InChIInChI=1S/C10H11NO4S/c12-9(13)10(4-1-5-10)16(14,15)8-2-6-11-7-3-8/h2-3,6-7H,1,4-5H2,(H,12,13)
InChIKeyVMWNJYNMRHLHCN-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.86
Rot. Bonds3

About 1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid

1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid (PubChem CID 116855391) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid
PubChem CID116855391
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)c2ccncc2)CCC1
InChIInChI=1S/C10H11NO4S/c12-9(13)10(4-1-5-10)16(14,15)8-2-6-11-7-3-8/h2-3,6-7H,1,4-5H2,(H,12,13)
InChIKeyVMWNJYNMRHLHCN-UHFFFAOYSA-N
XLogP0.86
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43519379
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1-(4-methylphenyl)sulfonylcycloheptane-1-carboxylic acid
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1-[1-(benzenesulfonyl)cyclobutyl]ethanone
CID 115042670
1-(2-bromophenyl)sulfonylcyclobutane-1-carboxylic acid
CID 16777928
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-(5-bromo-2-methylphenyl)sulfonylcyclobutane-1-carboxylic acid
CID 116855387
1-(4-bromothiophen-2-yl)sulfonylcyclobutane-1-carboxylic acid
CID 116855385
[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 23854238
1-(benzenesulfonyl)-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 23732618

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid (CID 116855391) is 1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid is O=C(O)C1(S(=O)(=O)c2ccncc2)CCC1.
What is the InChIKey of 1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid?
The InChIKey is VMWNJYNMRHLHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c12-9(13)10(4-1-5-10)16(14,15)8-2-6-11-7-3-8/h2-3,6-7H,1,4-5H2,(H,12,13).
What are the key properties of 1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid?
1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylsulfonylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 116855391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).