2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid

C14H16ClN3O4S — CID 154740689

IUPAC2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
SMILESCc1nn(C)c(C)c1C(NS(=O)(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C14H16ClN3O4S/c1-8-12(9(2)18(3)16-8)13(14(19)20)17-23(21,22)11-7-5-4-6-10(11)15/h4-7,13,17H,1-3H3,(H,19,20)
InChIKeyTXUKJZFIPNXGPU-UHFFFAOYSA-N
MW357.82 g/mol
LogP1.79
Rot. Bonds5

About 2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid

2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid (PubChem CID 154740689) has the molecular formula C14H16ClN3O4S and a molecular weight of 357.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
PubChem CID154740689
Molecular FormulaC14H16ClN3O4S
Molecular Weight357.82 g/mol
Exact Mass357.06
IUPAC Name2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
SMILESCc1nn(C)c(C)c1C(NS(=O)(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C14H16ClN3O4S/c1-8-12(9(2)18(3)16-8)13(14(19)20)17-23(21,22)11-7-5-4-6-10(11)15/h4-7,13,17H,1-3H3,(H,19,20)
InChIKeyTXUKJZFIPNXGPU-UHFFFAOYSA-N
XLogP1.79
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 167960909
2-[(2,5-dimethylfuran-3-yl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 167935421
2-(1,3-benzodioxol-5-ylsulfonylamino)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 154743917
2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 154745833
(2S)-2-[(2-chlorophenyl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide
CID 110286720
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid
CID 110504575
ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
CID 74228946
2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
CID 71563429
(2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
CID 107314959
2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
CID 71628754
(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 61137287

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid (CID 154740689) is 2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid is Cc1nn(C)c(C)c1C(NS(=O)(=O)c1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid?
The InChIKey is TXUKJZFIPNXGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4S/c1-8-12(9(2)18(3)16-8)13(14(19)20)17-23(21,22)11-7-5-4-6-10(11)15/h4-7,13,17H,1-3H3,(H,19,20).
What are the key properties of 2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid?
2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid has a molecular weight of 357.82 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfonylamino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 154740689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).