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

C8H12ClN3O4S — CID 106139021

IUPAC3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C8H12ClN3O4S/c1-5(3-7(13)14)11-17(15,16)8-6(9)4-10-12(8)2/h4-5,11H,3H2,1-2H3,(H,13,14)
InChIKeyWUMPBKVNDZSKLE-UHFFFAOYSA-N
MW281.72 g/mol
LogP0.22
Rot. Bonds5

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

3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid (PubChem CID 106139021) has the molecular formula C8H12ClN3O4S and a molecular weight of 281.72 g/mol. Its IUPAC name is 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid
PubChem CID106139021
Molecular FormulaC8H12ClN3O4S
Molecular Weight281.72 g/mol
Exact Mass281.02
IUPAC Name3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C8H12ClN3O4S/c1-5(3-7(13)14)11-17(15,16)8-6(9)4-10-12(8)2/h4-5,11H,3H2,1-2H3,(H,13,14)
InChIKeyWUMPBKVNDZSKLE-UHFFFAOYSA-N
XLogP0.22
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic 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

4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide
CID 106150769
(2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid
CID 106139067
N-(4-bromopentan-2-yl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316126
methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate
CID 114172524
(2R)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 106139080
3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709527
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 106139090
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid
CID 106139065
6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-4-ethylhexanoic acid
CID 106314106
N-(3-bromo-2-methylpropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316093
methyl 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-iodopropanoate
CID 114172625
N-[1-(2-aminophenyl)ethyl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313729

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid?
The IUPAC name of 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid (CID 106139021) is 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid is CC(CC(=O)O)NS(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid?
The InChIKey is WUMPBKVNDZSKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O4S/c1-5(3-7(13)14)11-17(15,16)8-6(9)4-10-12(8)2/h4-5,11H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid?
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid has a molecular weight of 281.72 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 106139021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).