2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid

C12H18ClN3O4S — CID 106139065

IUPAC2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid
SMILESCn1ncc(Cl)c1S(=O)(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H18ClN3O4S/c1-16-11(9(13)7-14-16)21(19,20)15-10(12(17)18)8-5-3-2-4-6-8/h7-8,10,15H,2-6H2,1H3,(H,17,18)
InChIKeyVYOHHGQNBLFKRT-UHFFFAOYSA-N
MW335.81 g/mol
LogP1.39
Rot. Bonds5

About 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid

2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid (PubChem CID 106139065) has the molecular formula C12H18ClN3O4S and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid
PubChem CID106139065
Molecular FormulaC12H18ClN3O4S
Molecular Weight335.81 g/mol
Exact Mass335.07
IUPAC Name2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid
SMILESCn1ncc(Cl)c1S(=O)(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H18ClN3O4S/c1-16-11(9(13)7-14-16)21(19,20)15-10(12(17)18)8-5-3-2-4-6-8/h7-8,10,15H,2-6H2,1H3,(H,17,18)
InChIKeyVYOHHGQNBLFKRT-UHFFFAOYSA-N
XLogP1.39
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid (CID 106139065) is 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid is Cn1ncc(Cl)c1S(=O)(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid?
The InChIKey is VYOHHGQNBLFKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O4S/c1-16-11(9(13)7-14-16)21(19,20)15-10(12(17)18)8-5-3-2-4-6-8/h7-8,10,15H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid?
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid has a molecular weight of 335.81 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid is sourced from PubChem (CID 106139065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).