N-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide

C12H13Cl2N3O3S — CID 23050738

IUPACN-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
SMILESCC1(C)CC=NN1C(=O)NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2N3O3S/c1-12(2)6-7-15-17(12)11(18)16-21(19,20)10-8(13)4-3-5-9(10)14/h3-5,7H,6H2,1-2H3,(H,16,18)
InChIKeyKYOHIRXUDOGVIB-UHFFFAOYSA-N
MW350.23 g/mol
LogP2.86
Rot. Bonds2

About N-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide

N-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide (PubChem CID 23050738) has the molecular formula C12H13Cl2N3O3S and a molecular weight of 350.23 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
PubChem CID23050738
Molecular FormulaC12H13Cl2N3O3S
Molecular Weight350.23 g/mol
Exact Mass349.01
IUPAC NameN-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
SMILESCC1(C)CC=NN1C(=O)NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2N3O3S/c1-12(2)6-7-15-17(12)11(18)16-21(19,20)10-8(13)4-3-5-9(10)14/h3-5,7H,6H2,1-2H3,(H,16,18)
InChIKeyKYOHIRXUDOGVIB-UHFFFAOYSA-N
XLogP2.86
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide (CID 23050738) is N-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide is CC1(C)CC=NN1C(=O)NS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide?
The InChIKey is KYOHIRXUDOGVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O3S/c1-12(2)6-7-15-17(12)11(18)16-21(19,20)10-8(13)4-3-5-9(10)14/h3-5,7H,6H2,1-2H3,(H,16,18).
What are the key properties of N-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide?
N-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide has a molecular weight of 350.23 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 23050738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).