N-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide

C14H19ClN4O2S — CID 25056080

IUPACN-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1
InChIInChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18)
InChIKeyRQYRFYXSSOVCAN-UHFFFAOYSA-N
MW342.85 g/mol
LogP2.32
Rot. Bonds3

About N-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide

N-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide (PubChem CID 25056080) has the molecular formula C14H19ClN4O2S and a molecular weight of 342.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide
PubChem CID25056080
Molecular FormulaC14H19ClN4O2S
Molecular Weight342.85 g/mol
Exact Mass342.09
IUPAC NameN-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1
InChIInChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18)
InChIKeyRQYRFYXSSOVCAN-UHFFFAOYSA-N
XLogP2.32
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-Chlorobenzene-1-sulfonyl)-N',4-diethyl-4,5-dihydro-1H-pyrazole-1-carboximidamide
CID 24855787
N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56593642
N-(2,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56593643
N-(2,6-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56593644
N-(3-chloro-2-fluorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56593645
N-(3-chlorophenyl)sulfonyl-N',4,4-triethyl-3H-pyrazole-2-carboximidamide
CID 56593803
N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide
CID 56593931
N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide
CID 56593932
N-(3-chlorophenyl)sulfonyl-N'-ethyl-8-oxa-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide
CID 56593933
N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide
CID 56593934
N-(benzenesulfonyl)-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide
CID 56593936
N-(benzenesulfonyl)-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56595280

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide?
The IUPAC name of N-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide (CID 25056080) is N-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide.
What is the SMILES notation for N-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide?
The canonical SMILES for N-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1.
What is the InChIKey of N-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide?
The InChIKey is RQYRFYXSSOVCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18).
What are the key properties of N-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide?
N-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide has a molecular weight of 342.85 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide is sourced from PubChem (CID 25056080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).