2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid

C12H14BrNO4S — CID 54945012

IUPAC2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid
SMILESCc1ccc(Br)cc1S(=O)(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H14BrNO4S/c1-8-2-3-9(13)6-11(8)19(17,18)14(7-12(15)16)10-4-5-10/h2-3,6,10H,4-5,7H2,1H3,(H,15,16)
InChIKeyGPZVARQDSQHNLG-UHFFFAOYSA-N
MW348.22 g/mol
LogP2.00
Rot. Bonds5

About 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid

2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid (PubChem CID 54945012) has the molecular formula C12H14BrNO4S and a molecular weight of 348.22 g/mol. Its IUPAC name is 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid
PubChem CID54945012
Molecular FormulaC12H14BrNO4S
Molecular Weight348.22 g/mol
Exact Mass346.98
IUPAC Name2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid
SMILESCc1ccc(Br)cc1S(=O)(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H14BrNO4S/c1-8-2-3-9(13)6-11(8)19(17,18)14(7-12(15)16)10-4-5-10/h2-3,6,10H,4-5,7H2,1H3,(H,15,16)
InChIKeyGPZVARQDSQHNLG-UHFFFAOYSA-N
XLogP2.00
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]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-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid
CID 60827550
2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
CID 60539936
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 43578757
3-[cyclopropyl(propyl)sulfamoyl]-4-methylbenzoic acid
CID 43270265
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide
CID 66188282
5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
CID 62334094
2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid
CID 60829160
2-[(5-bromo-2-methylphenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817848
5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102635699
5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 63420895

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid (CID 54945012) is 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid is Cc1ccc(Br)cc1S(=O)(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid?
The InChIKey is GPZVARQDSQHNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO4S/c1-8-2-3-9(13)6-11(8)19(17,18)14(7-12(15)16)10-4-5-10/h2-3,6,10H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid?
2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid has a molecular weight of 348.22 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 54945012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).