2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid

C11H11BrClNO4S — CID 114269251

IUPAC2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)c1c(Cl)cccc1Br
InChIInChI=1S/C11H11BrClNO4S/c12-8-2-1-3-9(13)11(8)19(17,18)14(6-10(15)16)7-4-5-7/h1-3,7H,4-6H2,(H,15,16)
InChIKeyMIDWGPXZZHAMFV-UHFFFAOYSA-N
MW368.64 g/mol
LogP2.34
Rot. Bonds5

About 2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid

2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid (PubChem CID 114269251) has the molecular formula C11H11BrClNO4S and a molecular weight of 368.64 g/mol. Its IUPAC name is 2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid
PubChem CID114269251
Molecular FormulaC11H11BrClNO4S
Molecular Weight368.64 g/mol
Exact Mass366.93
IUPAC Name2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C1CC1)S(=O)(=O)c1c(Cl)cccc1Br
InChIInChI=1S/C11H11BrClNO4S/c12-8-2-1-3-9(13)11(8)19(17,18)14(6-10(15)16)7-4-5-7/h1-3,7H,4-6H2,(H,15,16)
InChIKeyMIDWGPXZZHAMFV-UHFFFAOYSA-N
XLogP2.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-bromo-6-chlorophenyl)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-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 60827715
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid
CID 103087535
2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid
CID 43091528
2-[cyclobutyl-(2-fluoro-6-methylphenyl)sulfonylamino]acetic acid
CID 136550997
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid
CID 54945012
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid
CID 60828632
2-[(2-chloro-4-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829976
2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid
CID 60827550
1-(2-bromo-6-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 114269255

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid (CID 114269251) is 2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid is O=C(O)CN(C1CC1)S(=O)(=O)c1c(Cl)cccc1Br.
What is the InChIKey of 2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid?
The InChIKey is MIDWGPXZZHAMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO4S/c12-8-2-1-3-9(13)11(8)19(17,18)14(6-10(15)16)7-4-5-7/h1-3,7H,4-6H2,(H,15,16).
What are the key properties of 2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid?
2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid has a molecular weight of 368.64 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-6-chlorophenyl)sulfonyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 114269251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).