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

C12H13Cl2N3O3S — CID 23050774

IUPACN-(2,6-dichlorophenyl)sulfonyl-5-ethyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCC1=NN(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C12H13Cl2N3O3S/c1-2-8-6-7-17(15-8)12(18)16-21(19,20)11-9(13)4-3-5-10(11)14/h3-5H,2,6-7H2,1H3,(H,16,18)
InChIKeyVLNOWZPCUWQRBV-UHFFFAOYSA-N
MW350.23 g/mol
LogP2.86
Rot. Bonds3

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

N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050774) has the molecular formula C12H13Cl2N3O3S and a molecular weight of 350.23 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)sulfonyl-5-ethyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050774
Molecular FormulaC12H13Cl2N3O3S
Molecular Weight350.23 g/mol
Exact Mass349.01
IUPAC NameN-(2,6-dichlorophenyl)sulfonyl-5-ethyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCC1=NN(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C12H13Cl2N3O3S/c1-2-8-6-7-17(15-8)12(18)16-21(19,20)11-9(13)4-3-5-10(11)14/h3-5H,2,6-7H2,1H3,(H,16,18)
InChIKeyVLNOWZPCUWQRBV-UHFFFAOYSA-N
XLogP2.86
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-ethyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-3,4-dihydropyrazole-2-carboxamide (CID 23050774) is N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-3,4-dihydropyrazole-2-carboxamide is CCC1=NN(C(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is VLNOWZPCUWQRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O3S/c1-2-8-6-7-17(15-8)12(18)16-21(19,20)11-9(13)4-3-5-10(11)14/h3-5H,2,6-7H2,1H3,(H,16,18).
What are the key properties of N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-3,4-dihydropyrazole-2-carboxamide?
N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 350.23 g/mol, XLogP of 2.86, 3 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-ethyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).