2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid

C8H12ClN3O5S — CID 106139008

IUPAC2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid
SMILESCC(O)C(NS(=O)(=O)c1c(Cl)cnn1C)C(=O)O
InChIInChI=1S/C8H12ClN3O5S/c1-4(13)6(8(14)15)11-18(16,17)7-5(9)3-10-12(7)2/h3-4,6,11,13H,1-2H3,(H,14,15)
InChIKeyCSGMPSHBPLSGEF-UHFFFAOYSA-N
MW297.72 g/mol
LogP-0.81
Rot. Bonds5

About 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid

2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid (PubChem CID 106139008) has the molecular formula C8H12ClN3O5S and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid
PubChem CID106139008
Molecular FormulaC8H12ClN3O5S
Molecular Weight297.72 g/mol
Exact Mass297.02
IUPAC Name2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid
SMILESCC(O)C(NS(=O)(=O)c1c(Cl)cnn1C)C(=O)O
InChIInChI=1S/C8H12ClN3O5S/c1-4(13)6(8(14)15)11-18(16,17)7-5(9)3-10-12(7)2/h3-4,6,11,13H,1-2H3,(H,14,15)
InChIKeyCSGMPSHBPLSGEF-UHFFFAOYSA-N
XLogP-0.81
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 106314161
3-Hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361235
3-Hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709498
3-Hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709509
(2S)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709570
(2R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709712
Methyl 3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoate
CID 104710350
(2S,3R)-3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104935239
(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 104935304
2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 106139007
2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]pentanedioic acid
CID 106139010
2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]acetic acid
CID 106139011

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid (CID 106139008) is 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid is CC(O)C(NS(=O)(=O)c1c(Cl)cnn1C)C(=O)O.
What is the InChIKey of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid?
The InChIKey is CSGMPSHBPLSGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O5S/c1-4(13)6(8(14)15)11-18(16,17)7-5(9)3-10-12(7)2/h3-4,6,11,13H,1-2H3,(H,14,15).
What are the key properties of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid?
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid has a molecular weight of 297.72 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 106139008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).