2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid

C6H9N3O4S — CID 43535067

IUPAC2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid
SMILESCn1cc(NS(=O)(=O)CC(=O)O)cn1
InChIInChI=1S/C6H9N3O4S/c1-9-3-5(2-7-9)8-14(12,13)4-6(10)11/h2-3,8H,4H2,1H3,(H,10,11)
InChIKeyFQAWCGAJXJZYBD-UHFFFAOYSA-N
MW219.22 g/mol
LogP-0.75
Rot. Bonds4

About 2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid

2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid (PubChem CID 43535067) has the molecular formula C6H9N3O4S and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid
PubChem CID43535067
Molecular FormulaC6H9N3O4S
Molecular Weight219.22 g/mol
Exact Mass219.03
IUPAC Name2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid
SMILESCn1cc(NS(=O)(=O)CC(=O)O)cn1
InChIInChI=1S/C6H9N3O4S/c1-9-3-5(2-7-9)8-14(12,13)4-6(10)11/h2-3,8H,4H2,1H3,(H,10,11)
InChIKeyFQAWCGAJXJZYBD-UHFFFAOYSA-N
XLogP-0.75
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(ethanesulfonyl)ethyl]-1H-pyrazol-4-amine
CID 43807774
N-[1-(difluoromethyl)pyrazol-4-yl]ethanesulfonamide
CID 156508165
Methyl 2-[4-(difluoromethylsulfonylamino)pyrazol-1-yl]acetate
CID 54903921
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide
CID 56793533
2-[4-(Trifluoromethylsulfonylamino)pyrazol-1-yl]acetic acid
CID 61017494
2-[4-(Difluoromethylsulfonylamino)pyrazol-1-yl]acetic acid
CID 61019061
Methyl 2-[4-(4,4,4-trifluorobutylsulfonylamino)pyrazol-1-yl]acetate
CID 83048179
2-[4-(4,4,4-Trifluorobutylsulfonylamino)pyrazol-1-yl]acetic acid
CID 83068765
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide
CID 95741340
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide
CID 95741341
N-(1-methylpyrazol-4-yl)ethanesulfonamide
CID 60758805
N-(1-methylpyrazol-4-yl)methanesulfonamide
CID 60759133

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid (CID 43535067) is 2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid is Cn1cc(NS(=O)(=O)CC(=O)O)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid?
The InChIKey is FQAWCGAJXJZYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4S/c1-9-3-5(2-7-9)8-14(12,13)4-6(10)11/h2-3,8H,4H2,1H3,(H,10,11).
What are the key properties of 2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid?
2-[(1-methylpyrazol-4-yl)sulfamoyl]acetic acid has a molecular weight of 219.22 g/mol, XLogP of -0.75, 4 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)sulfamoyl]acetic acid is sourced from PubChem (CID 43535067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).