N-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide

C13H16ClN3O3S — CID 744284

IUPACN-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2ccccc2Cl)C(C)(C)C1
InChIInChI=1S/C13H16ClN3O3S/c1-9-8-13(2,3)17(15-9)12(18)16-21(19,20)11-7-5-4-6-10(11)14/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyOPUQXJQWXFZZLC-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.60
Rot. Bonds2

About N-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide

N-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide (PubChem CID 744284) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
PubChem CID744284
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC NameN-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2ccccc2Cl)C(C)(C)C1
InChIInChI=1S/C13H16ClN3O3S/c1-9-8-13(2,3)17(15-9)12(18)16-21(19,20)11-7-5-4-6-10(11)14/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyOPUQXJQWXFZZLC-UHFFFAOYSA-N
XLogP2.60
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide (CID 744284) is N-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide is CC1=NN(C(=O)NS(=O)(=O)c2ccccc2Cl)C(C)(C)C1.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The InChIKey is OPUQXJQWXFZZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-9-8-13(2,3)17(15-9)12(18)16-21(19,20)11-7-5-4-6-10(11)14/h4-7H,8H2,1-3H3,(H,16,18).
What are the key properties of N-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
N-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide has a molecular weight of 329.81 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 744284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).