2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid

C12H14ClNO4S — CID 79845498

IUPAC2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2cccc(Cl)c2)CCC1
InChIInChI=1S/C12H14ClNO4S/c13-9-3-1-4-10(7-9)19(17,18)14-12(5-2-6-12)8-11(15)16/h1,3-4,7,14H,2,5-6,8H2,(H,15,16)
InChIKeyICEUCUASMHACHK-UHFFFAOYSA-N
MW303.77 g/mol
LogP2.02
Rot. Bonds5

About 2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid

2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid (PubChem CID 79845498) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
PubChem CID79845498
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2cccc(Cl)c2)CCC1
InChIInChI=1S/C12H14ClNO4S/c13-9-3-1-4-10(7-9)19(17,18)14-12(5-2-6-12)8-11(15)16/h1,3-4,7,14H,2,5-6,8H2,(H,15,16)
InChIKeyICEUCUASMHACHK-UHFFFAOYSA-N
XLogP2.02
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(3-chlorophenyl)sulfonylamino]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]cyclohexyl]acetic acid
CID 64701151
2-[1-[[(3-chlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81163930
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527752
2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844855
2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844844
2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid
CID 166283600
2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid
CID 166283599
2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845918
2-[1-[(4-iodophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64700171
2-[1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671577
3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62521842
2-[1-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]cyclobutyl]acetic acid
CID 80735922

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid (CID 79845498) is 2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid is O=C(O)CC1(NS(=O)(=O)c2cccc(Cl)c2)CCC1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid?
The InChIKey is ICEUCUASMHACHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c13-9-3-1-4-10(7-9)19(17,18)14-12(5-2-6-12)8-11(15)16/h1,3-4,7,14H,2,5-6,8H2,(H,15,16).
What are the key properties of 2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid?
2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid has a molecular weight of 303.77 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).