2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid

C12H13N3O5S — CID 60910822

IUPAC2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H13N3O5S/c1-8-11(6-13-14-8)21(19,20)15(7-12(17)18)9-2-4-10(16)5-3-9/h2-6,16H,7H2,1H3,(H,13,14)(H,17,18)
InChIKeyIFKOGTGTBXTMFP-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.70
Rot. Bonds5

About 2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid

2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid (PubChem CID 60910822) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid
PubChem CID60910822
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H13N3O5S/c1-8-11(6-13-14-8)21(19,20)15(7-12(17)18)9-2-4-10(16)5-3-9/h2-6,16H,7H2,1H3,(H,13,14)(H,17,18)
InChIKeyIFKOGTGTBXTMFP-UHFFFAOYSA-N
XLogP0.70
TPSA123.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 63233869
N-[4-(aminomethyl)phenyl]-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60911604
N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912475
N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60910953
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
CID 60911348
2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid
CID 55123980
2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid
CID 60828163
N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 54901433
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 838667
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid?
The IUPAC name of 2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid (CID 60910822) is 2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid?
The canonical SMILES for 2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid is Cc1[nH]ncc1S(=O)(=O)N(CC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid?
The InChIKey is IFKOGTGTBXTMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-8-11(6-13-14-8)21(19,20)15(7-12(17)18)9-2-4-10(16)5-3-9/h2-6,16H,7H2,1H3,(H,13,14)(H,17,18).
What are the key properties of 2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid?
2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid has a molecular weight of 311.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid is sourced from PubChem (CID 60910822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).