2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid

C11H17N3O6S — CID 106296983

IUPAC2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NC2(CO)CCOCC2)cn1
InChIInChI=1S/C11H17N3O6S/c15-8-11(1-3-20-4-2-11)13-21(18,19)9-5-12-14(6-9)7-10(16)17/h5-6,13,15H,1-4,7-8H2,(H,16,17)
InChIKeyFFGOKSCRHCIBIP-UHFFFAOYSA-N
MW319.34 g/mol
LogP-1.21
Rot. Bonds6

About 2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 106296983) has the molecular formula C11H17N3O6S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID106296983
Molecular FormulaC11H17N3O6S
Molecular Weight319.34 g/mol
Exact Mass319.08
IUPAC Name2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NC2(CO)CCOCC2)cn1
InChIInChI=1S/C11H17N3O6S/c15-8-11(1-3-20-4-2-11)13-21(18,19)9-5-12-14(6-9)7-10(16)17/h5-6,13,15H,1-4,7-8H2,(H,16,17)
InChIKeyFFGOKSCRHCIBIP-UHFFFAOYSA-N
XLogP-1.21
TPSA130.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-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-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide
CID 106299114
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 62521953
4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299081
4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106298992
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 66169743
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62518576
2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 107216136
2-[4-[(3-methylcyclobutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 113467121

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid (CID 106296983) is 2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)NC2(CO)CCOCC2)cn1.
What is the InChIKey of 2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is FFGOKSCRHCIBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6S/c15-8-11(1-3-20-4-2-11)13-21(18,19)9-5-12-14(6-9)7-10(16)17/h5-6,13,15H,1-4,7-8H2,(H,16,17).
What are the key properties of 2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 319.34 g/mol, XLogP of -1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 106296983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).