2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid

C12H13BrClNO4S — CID 79845918

IUPAC2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2ccc(Br)cc2Cl)CCC1
InChIInChI=1S/C12H13BrClNO4S/c13-8-2-3-10(9(14)6-8)20(18,19)15-12(4-1-5-12)7-11(16)17/h2-3,6,15H,1,4-5,7H2,(H,16,17)
InChIKeyZGZIOXDCRYZNFP-UHFFFAOYSA-N
MW382.66 g/mol
LogP2.78
Rot. Bonds5

About 2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid

2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid (PubChem CID 79845918) has the molecular formula C12H13BrClNO4S and a molecular weight of 382.66 g/mol. Its IUPAC name is 2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
PubChem CID79845918
Molecular FormulaC12H13BrClNO4S
Molecular Weight382.66 g/mol
Exact Mass380.94
IUPAC Name2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2ccc(Br)cc2Cl)CCC1
InChIInChI=1S/C12H13BrClNO4S/c13-8-2-3-10(9(14)6-8)20(18,19)15-12(4-1-5-12)7-11(16)17/h2-3,6,15H,1,4-5,7H2,(H,16,17)
InChIKeyZGZIOXDCRYZNFP-UHFFFAOYSA-N
XLogP2.78
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.66
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62526692
1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445482
2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903054
2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844855
2-[1-[(4-bromo-2-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79849405
2-[1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671577
2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64672751
1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433200
2-[1-[(3-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845498
2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid
CID 166283600
2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid
CID 166283596
2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64701151

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid (CID 79845918) is 2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid is O=C(O)CC1(NS(=O)(=O)c2ccc(Br)cc2Cl)CCC1.
What is the InChIKey of 2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid?
The InChIKey is ZGZIOXDCRYZNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO4S/c13-8-2-3-10(9(14)6-8)20(18,19)15-12(4-1-5-12)7-11(16)17/h2-3,6,15H,1,4-5,7H2,(H,16,17).
What are the key properties of 2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid?
2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid has a molecular weight of 382.66 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).