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

C16H17ClN4O3S — CID 59339353

IUPACN-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(\NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccoc1
InChIInChI=1S/C16H17ClN4O3S/c1-2-18-16(20-25(22,23)14-5-3-4-13(17)10-14)21-15(6-8-19-21)12-7-9-24-11-12/h3-5,7-11,15H,2,6H2,1H3,(H,18,20)
InChIKeyUSHSNDFZDLVKJU-UHFFFAOYSA-N
MW380.86 g/mol
LogP3.02
Rot. Bonds4

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

N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 59339353) has the molecular formula C16H17ClN4O3S and a molecular weight of 380.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide
PubChem CID59339353
Molecular FormulaC16H17ClN4O3S
Molecular Weight380.86 g/mol
Exact Mass380.07
IUPAC NameN-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(\NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccoc1
InChIInChI=1S/C16H17ClN4O3S/c1-2-18-16(20-25(22,23)14-5-3-4-13(17)10-14)21-15(6-8-19-21)12-7-9-24-11-12/h3-5,7-11,15H,2,6H2,1H3,(H,18,20)
InChIKeyUSHSNDFZDLVKJU-UHFFFAOYSA-N
XLogP3.02
TPSA87.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 23050901
N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339487
N-(3-cyanophenyl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339351
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
CID 47269831
(3-chlorophenyl)sulfonylurea
CID 117060605
N-(3-chlorophenyl)sulfonyl-4-methylpentanamide
CID 47233055
1-(3-chlorophenyl)sulfonyl-3-propylthiourea
CID 119088818
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
3-chloro-N-ethoxybenzenesulfonamide
CID 60700498
3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide
CID 121085513

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide (CID 59339353) is N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide is CC/N=C(\NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccoc1.
What is the InChIKey of N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is USHSNDFZDLVKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3S/c1-2-18-16(20-25(22,23)14-5-3-4-13(17)10-14)21-15(6-8-19-21)12-7-9-24-11-12/h3-5,7-11,15H,2,6H2,1H3,(H,18,20).
What are the key properties of N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide?
N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 380.86 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)sulfonyl-N'-ethyl-3-(furan-3-yl)-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 59339353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).