2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid

C12H16BrNO5S — CID 43631274

IUPAC2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cc(Br)ccc1OC)C(=O)O
InChIInChI=1S/C12H16BrNO5S/c1-3-4-9(12(15)16)14-20(17,18)11-7-8(13)5-6-10(11)19-2/h5-7,9,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyOMNMJBURDVIDGP-UHFFFAOYSA-N
MW366.23 g/mol
LogP1.99
Rot. Bonds7

About 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid

2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid (PubChem CID 43631274) has the molecular formula C12H16BrNO5S and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
PubChem CID43631274
Molecular FormulaC12H16BrNO5S
Molecular Weight366.23 g/mol
Exact Mass364.99
IUPAC Name2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cc(Br)ccc1OC)C(=O)O
InChIInChI=1S/C12H16BrNO5S/c1-3-4-9(12(15)16)14-20(17,18)11-7-8(13)5-6-10(11)19-2/h5-7,9,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyOMNMJBURDVIDGP-UHFFFAOYSA-N
XLogP1.99
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
CID 104934669
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 78907344
2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid
CID 120820494
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
(2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanoic acid
CID 104934862
ethyl 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 5018434
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-ethylsulfonylbutanoic acid
CID 108781283
2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid
CID 43631181
(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 9115177
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
(2S)-2-[(5-bromo-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934720

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid (CID 43631274) is 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1cc(Br)ccc1OC)C(=O)O.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid?
The InChIKey is OMNMJBURDVIDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO5S/c1-3-4-9(12(15)16)14-20(17,18)11-7-8(13)5-6-10(11)19-2/h5-7,9,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid?
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid has a molecular weight of 366.23 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 43631274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).