2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid

C13H15N3O4S — CID 62487843

IUPAC2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid
SMILESCn1cc(S(=O)(=O)NC(C)(C(=O)O)c2ccccc2)cn1
InChIInChI=1S/C13H15N3O4S/c1-13(12(17)18,10-6-4-3-5-7-10)15-21(19,20)11-8-14-16(2)9-11/h3-9,15H,1-2H3,(H,17,18)
InChIKeyFIIMEUMHDAERFT-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.70
Rot. Bonds5

About 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid

2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid (PubChem CID 62487843) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid
PubChem CID62487843
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid
SMILESCn1cc(S(=O)(=O)NC(C)(C(=O)O)c2ccccc2)cn1
InChIInChI=1S/C13H15N3O4S/c1-13(12(17)18,10-6-4-3-5-7-10)15-21(19,20)11-8-14-16(2)9-11/h3-9,15H,1-2H3,(H,17,18)
InChIKeyFIIMEUMHDAERFT-UHFFFAOYSA-N
XLogP0.70
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide
CID 94809728
N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 71975852
2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 79792160
1-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]pyrazole-4-sulfonamide
CID 99819088
2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid
CID 62488191
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
CID 62116326
methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate
CID 43624452
4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]benzoic acid
CID 43361422
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 43431261
4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid
CID 167978269
2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid
CID 166253234
2-(4-chlorophenyl)-2-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]propanamide
CID 167763166

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid (CID 62487843) is 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid is Cn1cc(S(=O)(=O)NC(C)(C(=O)O)c2ccccc2)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid?
The InChIKey is FIIMEUMHDAERFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-13(12(17)18,10-6-4-3-5-7-10)15-21(19,20)11-8-14-16(2)9-11/h3-9,15H,1-2H3,(H,17,18).
What are the key properties of 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid?
2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid has a molecular weight of 309.35 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 62487843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).