N-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide

C11H11Cl2N3O3S — CID 23050741

IUPACN-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C11H11Cl2N3O3S/c1-7-5-6-16(14-7)11(17)15-20(18,19)10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3,(H,15,17)
InChIKeyHNUQPYNWEJRZKY-UHFFFAOYSA-N
MW336.20 g/mol
LogP2.47
Rot. Bonds2

About N-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide

N-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050741) has the molecular formula C11H11Cl2N3O3S and a molecular weight of 336.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050741
Molecular FormulaC11H11Cl2N3O3S
Molecular Weight336.20 g/mol
Exact Mass334.99
IUPAC NameN-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C11H11Cl2N3O3S/c1-7-5-6-16(14-7)11(17)15-20(18,19)10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3,(H,15,17)
InChIKeyHNUQPYNWEJRZKY-UHFFFAOYSA-N
XLogP2.47
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 52.47
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-methyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide (CID 23050741) is N-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide is CC1=NN(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is HNUQPYNWEJRZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O3S/c1-7-5-6-16(14-7)11(17)15-20(18,19)10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3,(H,15,17).
What are the key properties of N-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide?
N-(2,6-dichlorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 336.20 g/mol, XLogP of 2.47, 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-methyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).