2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid

C15H19N3O4S — CID 126459099

IUPAC2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H19N3O4S/c1-10-5-7-13(8-6-10)18(9-14(19)20)23(21,22)15-11(2)16-17(4)12(15)3/h5-8H,9H2,1-4H3,(H,19,20)
InChIKeyQHUCIDCGJFQAQR-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.63
Rot. Bonds5

About 2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid

2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid (PubChem CID 126459099) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid
PubChem CID126459099
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H19N3O4S/c1-10-5-7-13(8-6-10)18(9-14(19)20)23(21,22)15-11(2)16-17(4)12(15)3/h5-8H,9H2,1-4H3,(H,19,20)
InChIKeyQHUCIDCGJFQAQR-UHFFFAOYSA-N
XLogP1.63
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 50760200
2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 20858729
N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 50760379
N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide
CID 155902228
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetic acid
CID 3453928
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)pyrazole-4-sulfonamide
CID 20858722
N-(2,4-dimethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858755
N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 50760317
N-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868383
N-(4-methyl-2-pyridinyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 122175690
2-[4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]anilino]acetic acid
CID 65059219
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid (CID 126459099) is 2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid is Cc1ccc(N(CC(=O)O)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of 2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid?
The InChIKey is QHUCIDCGJFQAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10-5-7-13(8-6-10)18(9-14(19)20)23(21,22)15-11(2)16-17(4)12(15)3/h5-8H,9H2,1-4H3,(H,19,20).
What are the key properties of 2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid?
2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid has a molecular weight of 337.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid is sourced from PubChem (CID 126459099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).