2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid

C13H15Cl2NO4S — CID 81164357

IUPAC2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CCC1
InChIInChI=1S/C13H15Cl2NO4S/c14-9-4-10(15)6-11(5-9)21(19,20)16-8-13(2-1-3-13)7-12(17)18/h4-6,16H,1-3,7-8H2,(H,17,18)
InChIKeyFUCGIRPFGMHUBJ-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.92
Rot. Bonds6

About 2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid

2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid (PubChem CID 81164357) has the molecular formula C13H15Cl2NO4S and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
PubChem CID81164357
Molecular FormulaC13H15Cl2NO4S
Molecular Weight352.24 g/mol
Exact Mass351.01
IUPAC Name2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CCC1
InChIInChI=1S/C13H15Cl2NO4S/c14-9-4-10(15)6-11(5-9)21(19,20)16-8-13(2-1-3-13)7-12(17)18/h4-6,16H,1-3,7-8H2,(H,17,18)
InChIKeyFUCGIRPFGMHUBJ-UHFFFAOYSA-N
XLogP2.92
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[(3-chlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81163930
2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164750
2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164653
2-[1-[[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81165466
2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81163633
3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848049
5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065
2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid
CID 105349518
2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid
CID 102690759
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992
3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62521842
2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845498

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid (CID 81164357) is 2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CCC1.
What is the InChIKey of 2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid?
The InChIKey is FUCGIRPFGMHUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4S/c14-9-4-10(15)6-11(5-9)21(19,20)16-8-13(2-1-3-13)7-12(17)18/h4-6,16H,1-3,7-8H2,(H,17,18).
What are the key properties of 2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid?
2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid has a molecular weight of 352.24 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).