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

C12H15ClN4O2S — CID 56595407

IUPACN-(3-chlorophenyl)sulfonyl-N'-ethyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1CCC=N1
InChIInChI=1S/C12H15ClN4O2S/c1-2-14-12(17-8-4-7-15-17)16-20(18,19)11-6-3-5-10(13)9-11/h3,5-7,9H,2,4,8H2,1H3,(H,14,16)
InChIKeyFAHHQHKCTQQKDO-UHFFFAOYSA-N
MW314.80 g/mol
LogP1.69
Rot. Bonds3

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

N-(3-chlorophenyl)sulfonyl-N'-ethyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 56595407) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfonyl-N'-ethyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfonyl-N'-ethyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID56595407
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC NameN-(3-chlorophenyl)sulfonyl-N'-ethyl-3,4-dihydropyrazole-2-carboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1CCC=N1
InChIInChI=1S/C12H15ClN4O2S/c1-2-14-12(17-8-4-7-15-17)16-20(18,19)11-6-3-5-10(13)9-11/h3,5-7,9H,2,4,8H2,1H3,(H,14,16)
InChIKeyFAHHQHKCTQQKDO-UHFFFAOYSA-N
XLogP1.69
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 51.69
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-(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-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-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of N-(3-chlorophenyl)sulfonyl-N'-ethyl-3,4-dihydropyrazole-2-carboximidamide (CID 56595407) is N-(3-chlorophenyl)sulfonyl-N'-ethyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for N-(3-chlorophenyl)sulfonyl-N'-ethyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for N-(3-chlorophenyl)sulfonyl-N'-ethyl-3,4-dihydropyrazole-2-carboximidamide is CC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1CCC=N1.
What is the InChIKey of N-(3-chlorophenyl)sulfonyl-N'-ethyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is FAHHQHKCTQQKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c1-2-14-12(17-8-4-7-15-17)16-20(18,19)11-6-3-5-10(13)9-11/h3,5-7,9H,2,4,8H2,1H3,(H,14,16).
What are the key properties of N-(3-chlorophenyl)sulfonyl-N'-ethyl-3,4-dihydropyrazole-2-carboximidamide?
N-(3-chlorophenyl)sulfonyl-N'-ethyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 314.80 g/mol, XLogP of 1.69, 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-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 56595407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).