2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid

C13H16ClNO4S — CID 166283600

IUPAC2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid
SMILESCc1cccc(Cl)c1S(=O)(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C13H16ClNO4S/c1-9-4-2-5-10(14)12(9)20(18,19)15-13(6-3-7-13)8-11(16)17/h2,4-5,15H,3,6-8H2,1H3,(H,16,17)
InChIKeyKRFBMZATZFBCEM-UHFFFAOYSA-N
MW317.79 g/mol
LogP2.32
Rot. Bonds5

About 2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid

2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid (PubChem CID 166283600) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid
PubChem CID166283600
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid
SMILESCc1cccc(Cl)c1S(=O)(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C13H16ClNO4S/c1-9-4-2-5-10(14)12(9)20(18,19)15-13(6-3-7-13)8-11(16)17/h2,4-5,15H,3,6-8H2,1H3,(H,16,17)
InChIKeyKRFBMZATZFBCEM-UHFFFAOYSA-N
XLogP2.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844855
2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845498
2-[3-[(3-chloro-2-methylphenyl)sulfonylamino]oxan-3-yl]acetic acid
CID 138000553
2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64701151
2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845918
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64673316
2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3,6-dimethylbenzenesulfonamide
CID 103171830
2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid
CID 166283596
N-[1-(aminomethyl)cyclopentyl]-2-methyl-6-nitrobenzenesulfonamide
CID 63888405
2-chloro-N,6-dimethylbenzenesulfonamide
CID 58436447
2-[1-[(2-cyano-3-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844849
2-[1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671577

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid (CID 166283600) is 2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid is Cc1cccc(Cl)c1S(=O)(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid?
The InChIKey is KRFBMZATZFBCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c1-9-4-2-5-10(14)12(9)20(18,19)15-13(6-3-7-13)8-11(16)17/h2,4-5,15H,3,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid?
2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid has a molecular weight of 317.79 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 166283600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).