N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide

C14H18Cl2N4O2S — CID 56593642

IUPACN-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CC(CC)C=N1
InChIInChI=1S/C14H18Cl2N4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)13-6-11(15)5-12(16)7-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)
InChIKeyMIENTKMPXVXICZ-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.98
Rot. Bonds4

About N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide

N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 56593642) has the molecular formula C14H18Cl2N4O2S and a molecular weight of 377.30 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID56593642
Molecular FormulaC14H18Cl2N4O2S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC NameN-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CC(CC)C=N1
InChIInChI=1S/C14H18Cl2N4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)13-6-11(15)5-12(16)7-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)
InChIKeyMIENTKMPXVXICZ-UHFFFAOYSA-N
XLogP2.98
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.98
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
3-Chloro-n-[(4,4-dimethyl-4,5-dihydro-pyrazol-1-yl)-ethylamino-methylene]-benzenesulfonamide
CID 25056080
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-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide
CID 56593934
N-(benzenesulfonyl)-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56595280
N-(3-chlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56595402
N-(3-chlorophenyl)sulfonyl-4-ethyl-N'-propyl-3,4-dihydropyrazole-2-carboximidamide
CID 56595403

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide (CID 56593642) is N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CC(CC)C=N1.
What is the InChIKey of N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is MIENTKMPXVXICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)13-6-11(15)5-12(16)7-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,19).
What are the key properties of N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide?
N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 377.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 56593642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).