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

C12H14N4O4S — CID 107339836

IUPAC2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C12H14N4O4S/c1-7-12(8(2)15-14-7)21(19,20)16-10-4-3-9(13-6-10)5-11(17)18/h3-4,6,16H,5H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyFUGSHFGVLXHFBR-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.85
Rot. Bonds5

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

2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid (PubChem CID 107339836) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid
PubChem CID107339836
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C12H14N4O4S/c1-7-12(8(2)15-14-7)21(19,20)16-10-4-3-9(13-6-10)5-11(17)18/h3-4,6,16H,5H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyFUGSHFGVLXHFBR-UHFFFAOYSA-N
XLogP0.85
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345
2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
CID 107339875
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113014983
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113012183
2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339860
N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113010431
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113017714
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019734
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
CID 112505341
N-[4-(1-hydroxyethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43417190

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid (CID 107339836) is 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid?
The InChIKey is FUGSHFGVLXHFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-7-12(8(2)15-14-7)21(19,20)16-10-4-3-9(13-6-10)5-11(17)18/h3-4,6,16H,5H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid?
2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid has a molecular weight of 310.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).