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

C12H14BrNO5S — CID 60827550

IUPAC2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H14BrNO5S/c1-19-10-5-2-8(13)6-11(10)20(17,18)14(7-12(15)16)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,15,16)
InChIKeyOPUZGPXXKQCKDS-UHFFFAOYSA-N
MW364.22 g/mol
LogP1.70
Rot. Bonds6

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

2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid (PubChem CID 60827550) has the molecular formula C12H14BrNO5S and a molecular weight of 364.22 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid
PubChem CID60827550
Molecular FormulaC12H14BrNO5S
Molecular Weight364.22 g/mol
Exact Mass362.98
IUPAC Name2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C12H14BrNO5S/c1-19-10-5-2-8(13)6-11(10)20(17,18)14(7-12(15)16)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,15,16)
InChIKeyOPUZGPXXKQCKDS-UHFFFAOYSA-N
XLogP1.70
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid
CID 54945012
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
2-[(5-bromo-2-methoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829123
5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 23968657
5-bromo-2-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356114
5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301153
2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 62818536
5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102635646
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
5-bromo-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947897
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 7414153
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid (CID 60827550) is 2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid is COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid?
The InChIKey is OPUZGPXXKQCKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO5S/c1-19-10-5-2-8(13)6-11(10)20(17,18)14(7-12(15)16)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,15,16).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid?
2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid has a molecular weight of 364.22 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 60827550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).