N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide

C18H19ClN4O2S — CID 59339487

IUPACN-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1CC(c2ccccc2)C=N1
InChIInChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)17-10-6-9-16(19)11-17)23-13-15(12-21-23)14-7-4-3-5-8-14/h3-12,15H,2,13H2,1H3,(H,20,22)
InChIKeyFOFJSNMSAYPFCM-UHFFFAOYSA-N
MW390.90 g/mol
LogP3.08
Rot. Bonds4

About N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide

N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 59339487) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID59339487
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC NameN-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1CC(c2ccccc2)C=N1
InChIInChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)17-10-6-9-16(19)11-17)23-13-15(12-21-23)14-7-4-3-5-8-14/h3-12,15H,2,13H2,1H3,(H,20,22)
InChIKeyFOFJSNMSAYPFCM-UHFFFAOYSA-N
XLogP3.08
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 53.08
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-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339351
N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide
CID 59339353
N-(3-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 23050901
N-(1,3-benzothiazol-6-ylsulfonyl)-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339452
N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide
CID 58158748
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 68823873
5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide
CID 11569861
N-(3-chlorophenyl)sulfinyl-N'-ethyl-5-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 143647251
ethyl 2-[[[(4-chlorophenyl)sulfonylamino]-(4,5-diphenyl-3,4-dihydropyrazol-2-yl)methylidene]amino]acetate
CID 46834420
5-(4-chlorophenyl)-N'-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 11409827
2-[[[(3-chlorophenyl)sulfonylamino]-[4-hydroxy-5-(4-methoxyphenyl)-4-phenyl-3H-pyrazol-2-yl]methylidene]amino]acetic acid
CID 46834424

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide (CID 59339487) is N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1CC(c2ccccc2)C=N1.
What is the InChIKey of N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is FOFJSNMSAYPFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)17-10-6-9-16(19)11-17)23-13-15(12-21-23)14-7-4-3-5-8-14/h3-12,15H,2,13H2,1H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide?
N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 390.90 g/mol, XLogP of 3.08, 4 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-phenyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 59339487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).