2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid

C13H15Cl2NO4S — CID 81164750

IUPAC2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C13H15Cl2NO4S/c14-10-3-2-9(6-11(10)15)21(19,20)16-8-13(4-1-5-13)7-12(17)18/h2-3,6,16H,1,4-5,7-8H2,(H,17,18)
InChIKeyQMMVKWOGWAHOAG-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.92
Rot. Bonds6

About 2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid

2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid (PubChem CID 81164750) has the molecular formula C13H15Cl2NO4S and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
PubChem CID81164750
Molecular FormulaC13H15Cl2NO4S
Molecular Weight352.24 g/mol
Exact Mass351.01
IUPAC Name2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C13H15Cl2NO4S/c14-10-3-2-9(6-11(10)15)21(19,20)16-8-13(4-1-5-13)7-12(17)18/h2-3,6,16H,1,4-5,7-8H2,(H,17,18)
InChIKeyQMMVKWOGWAHOAG-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

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Related Compounds

2-[1-[[(3-chlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81163930
2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164357
3,4-dichloro-N-[[1-(chloromethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115456637
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
3-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 110642368
4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-nitrobenzenesulfonamide
CID 115454532
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-4-chlorobenzenesulfonamide
CID 106613159
2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid
CID 102690759
2-[1-[[(2-chloro-5-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 106500375
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164653
2-[1-[[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81165466

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid (CID 81164750) is 2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid?
The InChIKey is QMMVKWOGWAHOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4S/c14-10-3-2-9(6-11(10)15)21(19,20)16-8-13(4-1-5-13)7-12(17)18/h2-3,6,16H,1,4-5,7-8H2,(H,17,18).
What are the key properties of 2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid?
2-[1-[[(3,4-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-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).