N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide

C17H23ClN4O2S — CID 56593932

IUPACN-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCCCC2
InChIInChI=1S/C17H23ClN4O2S/c1-2-19-16(21-25(23,24)15-8-6-7-14(18)11-15)22-13-17(12-20-22)9-4-3-5-10-17/h6-8,11-12H,2-5,9-10,13H2,1H3,(H,19,21)
InChIKeyARVCFMJELQIOOU-UHFFFAOYSA-N
MW382.92 g/mol
LogP3.25
Rot. Bonds3

About N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide

N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide (PubChem CID 56593932) has the molecular formula C17H23ClN4O2S and a molecular weight of 382.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide
PubChem CID56593932
Molecular FormulaC17H23ClN4O2S
Molecular Weight382.92 g/mol
Exact Mass382.12
IUPAC NameN-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCCCC2
InChIInChI=1S/C17H23ClN4O2S/c1-2-19-16(21-25(23,24)15-8-6-7-14(18)11-15)22-13-17(12-20-22)9-4-3-5-10-17/h6-8,11-12H,2-5,9-10,13H2,1H3,(H,19,21)
InChIKeyARVCFMJELQIOOU-UHFFFAOYSA-N
XLogP3.25
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 53.25
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'-benzyl-N-(2-chlorophenyl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide
CID 24855831
3-Chloro-n-[(4,4-dimethyl-4,5-dihydro-pyrazol-1-yl)-ethylamino-methylene]-benzenesulfonamide
CID 25056080
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-(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-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-(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-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide?
The IUPAC name of N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide (CID 56593932) is N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide.
What is the SMILES notation for N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide?
The canonical SMILES for N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCCCC2.
What is the InChIKey of N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide?
The InChIKey is ARVCFMJELQIOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2S/c1-2-19-16(21-25(23,24)15-8-6-7-14(18)11-15)22-13-17(12-20-22)9-4-3-5-10-17/h6-8,11-12H,2-5,9-10,13H2,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide?
N-(3-chlorophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide has a molecular weight of 382.92 g/mol, XLogP of 3.25, 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-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide is sourced from PubChem (CID 56593932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).