2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid

C12H17ClN2O4S — CID 120660469

IUPAC2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNS(=O)(=O)c1cncc(Cl)c1)C(=O)O
InChIInChI=1S/C12H17ClN2O4S/c1-8(2)3-9(12(16)17)5-15-20(18,19)11-4-10(13)6-14-7-11/h4,6-9,15H,3,5H2,1-2H3,(H,16,17)
InChIKeyMQYFOKUTPGAHEM-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.76
Rot. Bonds7

About 2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid

2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid (PubChem CID 120660469) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid
PubChem CID120660469
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNS(=O)(=O)c1cncc(Cl)c1)C(=O)O
InChIInChI=1S/C12H17ClN2O4S/c1-8(2)3-9(12(16)17)5-15-20(18,19)11-4-10(13)6-14-7-11/h4,6-9,15H,3,5H2,1-2H3,(H,16,17)
InChIKeyMQYFOKUTPGAHEM-UHFFFAOYSA-N
XLogP1.76
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3-chloro-5-fluorophenyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660622
4-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]methyl]pentanoic acid
CID 120660544
4-methyl-2-[[(2-methyl-1,3-dioxoisoindol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 120660441
4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid
CID 120660404
4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 103414340
2-[[[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660417
4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid
CID 120660467
4-methyl-2-[[(3-propanoylphenyl)sulfonylamino]methyl]pentanoic acid
CID 120660695
2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660381
2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222683
2-[[[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660555
2-[[(2,6-dimethoxyphenyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660620

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid (CID 120660469) is 2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid is CC(C)CC(CNS(=O)(=O)c1cncc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid?
The InChIKey is MQYFOKUTPGAHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-8(2)3-9(12(16)17)5-15-20(18,19)11-4-10(13)6-14-7-11/h4,6-9,15H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid?
2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid has a molecular weight of 320.80 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chloro-3-pyridinyl)sulfonylamino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 120660469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).