2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid

C7H9F2N3O4S — CID 115288368

IUPAC2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NS(=O)(=O)C(F)F)C(=O)O)cn1
InChIInChI=1S/C7H9F2N3O4S/c1-12-3-4(2-10-12)5(6(13)14)11-17(15,16)7(8)9/h2-3,5,7,11H,1H3,(H,13,14)
InChIKeyMWEBTJDUJCYVOB-UHFFFAOYSA-N
MW269.23 g/mol
LogP-0.31
Rot. Bonds5

About 2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid

2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 115288368) has the molecular formula C7H9F2N3O4S and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID115288368
Molecular FormulaC7H9F2N3O4S
Molecular Weight269.23 g/mol
Exact Mass269.03
IUPAC Name2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NS(=O)(=O)C(F)F)C(=O)O)cn1
InChIInChI=1S/C7H9F2N3O4S/c1-12-3-4(2-10-12)5(6(13)14)11-17(15,16)7(8)9/h2-3,5,7,11H,1H3,(H,13,14)
InChIKeyMWEBTJDUJCYVOB-UHFFFAOYSA-N
XLogP-0.31
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic 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

2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 114533414
2-(1-methylpyrazol-4-yl)-2-(methylsulfonylmethylsulfonylamino)acetic acid
CID 82840501
2-[(2-methoxy-2-oxoethyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279548
2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288364
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 106139090
2-(1-methylpyrazol-4-yl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetic acid
CID 115288348
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-(2,3-dimethylbutanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288233
2-(1-methylpyrazol-4-yl)-2-(prop-2-enoylamino)acetic acid
CID 115287988
2-(tert-butylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288293
2-(1-methylpyrazol-4-yl)-2-(piperidine-1-carbonylamino)acetic acid
CID 113279547

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid (CID 115288368) is 2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid is Cn1cc(C(NS(=O)(=O)C(F)F)C(=O)O)cn1.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is MWEBTJDUJCYVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O4S/c1-12-3-4(2-10-12)5(6(13)14)11-17(15,16)7(8)9/h2-3,5,7,11H,1H3,(H,13,14).
What are the key properties of 2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 269.23 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115288368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).