2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid

C12H12Cl3NO4S — CID 79844855

IUPAC2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCC1
InChIInChI=1S/C12H12Cl3NO4S/c13-7-4-8(14)11(9(15)5-7)21(19,20)16-12(2-1-3-12)6-10(17)18/h4-5,16H,1-3,6H2,(H,17,18)
InChIKeyQWVBLWQPKRYZMY-UHFFFAOYSA-N
MW372.66 g/mol
LogP3.32
Rot. Bonds5

About 2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid

2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid (PubChem CID 79844855) has the molecular formula C12H12Cl3NO4S and a molecular weight of 372.66 g/mol. Its IUPAC name is 2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid
PubChem CID79844855
Molecular FormulaC12H12Cl3NO4S
Molecular Weight372.66 g/mol
Exact Mass370.96
IUPAC Name2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCC1
InChIInChI=1S/C12H12Cl3NO4S/c13-7-4-8(14)11(9(15)5-7)21(19,20)16-12(2-1-3-12)6-10(17)18/h4-5,16H,1-3,6H2,(H,17,18)
InChIKeyQWVBLWQPKRYZMY-UHFFFAOYSA-N
XLogP3.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.66
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid
CID 166283600
2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845498
2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845918
2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64701151
2-[1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671577
2-[1-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]cyclobutyl]acetic acid
CID 80735922
2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid
CID 166283596
2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844844
2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64672751
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64673316
3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62521842
2-[1-[(4-iodophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64700171

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid (CID 79844855) is 2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid is O=C(O)CC1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCC1.
What is the InChIKey of 2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid?
The InChIKey is QWVBLWQPKRYZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3NO4S/c13-7-4-8(14)11(9(15)5-7)21(19,20)16-12(2-1-3-12)6-10(17)18/h4-5,16H,1-3,6H2,(H,17,18).
What are the key properties of 2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid?
2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid has a molecular weight of 372.66 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79844855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).