3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid

C11H11ClFNO4S — CID 138031784

IUPAC3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(NS(=O)(=O)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C11H11ClFNO4S/c12-7-3-8(13)5-10(4-7)19(17,18)14-9-1-6(2-9)11(15)16/h3-6,9,14H,1-2H2,(H,15,16)
InChIKeyHYZSPMLGUXQXLA-UHFFFAOYSA-N
MW307.73 g/mol
LogP1.62
Rot. Bonds4

About 3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid

3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid (PubChem CID 138031784) has the molecular formula C11H11ClFNO4S and a molecular weight of 307.73 g/mol. Its IUPAC name is 3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
PubChem CID138031784
Molecular FormulaC11H11ClFNO4S
Molecular Weight307.73 g/mol
Exact Mass307.01
IUPAC Name3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(NS(=O)(=O)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C11H11ClFNO4S/c12-7-3-8(13)5-10(4-7)19(17,18)14-9-1-6(2-9)11(15)16/h3-6,9,14H,1-2H2,(H,15,16)
InChIKeyHYZSPMLGUXQXLA-UHFFFAOYSA-N
XLogP1.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63043849
N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide
CID 43597821
3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031557
N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
3,5-dichloro-N-cyclopropylbenzenesulfonamide
CID 26947993
(3S)-1-(3-chloro-5-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 136580982
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138032308
3-[(4-chloro-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042577
2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4,4-difluorobutanoic acid
CID 154742191
3-chloro-N-(1,3-dioxan-2-ylmethyl)-5-fluorobenzenesulfonamide
CID 126824889
4-[(6-chloro-2,3-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071127
3-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107368735

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid (CID 138031784) is 3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid is O=C(O)C1CC(NS(=O)(=O)c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The InChIKey is HYZSPMLGUXQXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO4S/c12-7-3-8(13)5-10(4-7)19(17,18)14-9-1-6(2-9)11(15)16/h3-6,9,14H,1-2H2,(H,15,16).
What are the key properties of 3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid has a molecular weight of 307.73 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-5-fluorophenyl)sulfonylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 138031784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).