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

C13H15Cl2N3O3S — CID 23050736

IUPACN-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)C(C)(C)C1
InChIInChI=1S/C13H15Cl2N3O3S/c1-8-7-13(2,3)18(16-8)12(19)17-22(20,21)10-6-4-5-9(14)11(10)15/h4-6H,7H2,1-3H3,(H,17,19)
InChIKeyVYJAJUWSRVGULU-UHFFFAOYSA-N
MW364.25 g/mol
LogP3.25
Rot. Bonds2

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

N-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide (PubChem CID 23050736) has the molecular formula C13H15Cl2N3O3S and a molecular weight of 364.25 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
PubChem CID23050736
Molecular FormulaC13H15Cl2N3O3S
Molecular Weight364.25 g/mol
Exact Mass363.02
IUPAC NameN-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)C(C)(C)C1
InChIInChI=1S/C13H15Cl2N3O3S/c1-8-7-13(2,3)18(16-8)12(19)17-22(20,21)10-6-4-5-9(14)11(10)15/h4-6H,7H2,1-3H3,(H,17,19)
InChIKeyVYJAJUWSRVGULU-UHFFFAOYSA-N
XLogP3.25
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide (CID 23050736) is N-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide is CC1=NN(C(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)C(C)(C)C1.
What is the InChIKey of N-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The InChIKey is VYJAJUWSRVGULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O3S/c1-8-7-13(2,3)18(16-8)12(19)17-22(20,21)10-6-4-5-9(14)11(10)15/h4-6H,7H2,1-3H3,(H,17,19).
What are the key properties of N-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
N-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide has a molecular weight of 364.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 23050736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).