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

C14H17N3O4S — CID 136533007

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid
SMILESCc1cccc(C(NS(=O)(=O)c2c(C)n[nH]c2C)C(=O)O)c1
InChIInChI=1S/C14H17N3O4S/c1-8-5-4-6-11(7-8)12(14(18)19)17-22(20,21)13-9(2)15-16-10(13)3/h4-7,12,17H,1-3H3,(H,15,16)(H,18,19)
InChIKeyCLJHWRDOHBJKEI-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.44
Rot. Bonds5

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

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid (PubChem CID 136533007) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid
PubChem CID136533007
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid
SMILESCc1cccc(C(NS(=O)(=O)c2c(C)n[nH]c2C)C(=O)O)c1
InChIInChI=1S/C14H17N3O4S/c1-8-5-4-6-11(7-8)12(14(18)19)17-22(20,21)13-9(2)15-16-10(13)3/h4-7,12,17H,1-3H3,(H,15,16)(H,18,19)
InChIKeyCLJHWRDOHBJKEI-UHFFFAOYSA-N
XLogP1.44
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid
CID 55108733
3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide
CID 112506527
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid
CID 61145220
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid
CID 110671710
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2683771
3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 43091250
3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 60700211
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43078991
2-[(3-methylphenyl)sulfonylamino]-2-phenylethanethioamide
CID 61123888
3,5-dimethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 62844265
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetic acid
CID 67617596
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid (CID 136533007) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid is Cc1cccc(C(NS(=O)(=O)c2c(C)n[nH]c2C)C(=O)O)c1.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid?
The InChIKey is CLJHWRDOHBJKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-8-5-4-6-11(7-8)12(14(18)19)17-22(20,21)13-9(2)15-16-10(13)3/h4-7,12,17H,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid has a molecular weight of 323.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid is sourced from PubChem (CID 136533007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).