2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid

C13H15N3O4S — CID 62535345

IUPAC2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H15N3O4S/c1-8-13(9(2)15-14-8)21(19,20)16-11-6-4-3-5-10(11)7-12(17)18/h3-6,16H,7H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyUELXSYWWDJOODT-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.45
Rot. Bonds5

About 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid

2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid (PubChem CID 62535345) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
PubChem CID62535345
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H15N3O4S/c1-8-13(9(2)15-14-8)21(19,20)16-11-6-4-3-5-10(11)7-12(17)18/h3-6,16H,7H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyUELXSYWWDJOODT-UHFFFAOYSA-N
XLogP1.45
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 46379403
N-(2-ethylsulfanylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60934151
2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339836
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2683771
N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 81497421
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 112997690
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64696182
N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
CID 112996749
4-bromo-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 104935776
N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110360096
N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 47267980
2-[2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 62534389

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid (CID 62535345) is 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid?
The InChIKey is UELXSYWWDJOODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8-13(9(2)15-14-8)21(19,20)16-11-6-4-3-5-10(11)7-12(17)18/h3-6,16H,7H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid?
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid has a molecular weight of 309.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid is sourced from PubChem (CID 62535345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).