2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid

C12H13N3O4S — CID 60934231

IUPAC2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C12H13N3O4S/c16-12(17)9-20(18,19)14-11-4-2-10(3-5-11)8-15-7-1-6-13-15/h1-7,14H,8-9H2,(H,16,17)
InChIKeyYNKUYQRVMOSANC-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.76
Rot. Bonds6

About 2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid

2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid (PubChem CID 60934231) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
PubChem CID60934231
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C12H13N3O4S/c16-12(17)9-20(18,19)14-11-4-2-10(3-5-11)8-15-7-1-6-13-15/h1-7,14H,8-9H2,(H,16,17)
InChIKeyYNKUYQRVMOSANC-UHFFFAOYSA-N
XLogP0.76
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole
CID 112573677
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846
N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 55814374
2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55902750
2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid
CID 43700013
2-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 115353094
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205263
N-(1-ethylsulfonylpropan-2-yl)-4-(pyrazol-1-ylmethyl)aniline
CID 104663721
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid (CID 60934231) is 2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid?
The InChIKey is YNKUYQRVMOSANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c16-12(17)9-20(18,19)14-11-4-2-10(3-5-11)8-15-7-1-6-13-15/h1-7,14H,8-9H2,(H,16,17).
What are the key properties of 2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid?
2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid has a molecular weight of 295.32 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid is sourced from PubChem (CID 60934231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).