5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride

C11H9Cl2N3O4S — CID 82916010

IUPAC5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride
SMILESCCc1nn(-c2ccccc2[N+](=O)[O-])c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C11H9Cl2N3O4S/c1-2-7-10(21(13,19)20)11(12)15(14-7)8-5-3-4-6-9(8)16(17)18/h3-6H,2H2,1H3
InChIKeyBAJFMDSQOIBWSR-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.92
Rot. Bonds4

About 5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride

5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride (PubChem CID 82916010) has the molecular formula C11H9Cl2N3O4S and a molecular weight of 350.18 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride
PubChem CID82916010
Molecular FormulaC11H9Cl2N3O4S
Molecular Weight350.18 g/mol
Exact Mass348.97
IUPAC Name5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride
SMILESCCc1nn(-c2ccccc2[N+](=O)[O-])c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C11H9Cl2N3O4S/c1-2-7-10(21(13,19)20)11(12)15(14-7)8-5-3-4-6-9(8)16(17)18/h3-6H,2H2,1H3
InChIKeyBAJFMDSQOIBWSR-UHFFFAOYSA-N
XLogP2.92
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-carbonitrile
CID 63790371
5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride
CID 82918805
5-chloro-3-ethyl-1-(2-fluorophenyl)-4-nitropyrazole
CID 66020322
4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one
CID 101357762
1-ethyl-2-nitrobenzene;(2-nitrophenyl)methanesulfonyl chloride
CID 160906769
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-(2-nitrophenyl)piperazine
CID 133423532
3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
CID 134405647
5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole
CID 66020319
3-tert-butyl-5-chloro-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride
CID 82916483
5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
CID 82918506
ethyl 4,5-dimethyl-2-(2-nitrophenyl)pyrazole-3-carboxylate
CID 70085916
1-(2-nitrophenyl)-5-propyltriazol-4-amine
CID 79508399

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride (CID 82916010) is 5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride is CCc1nn(-c2ccccc2[N+](=O)[O-])c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride?
The InChIKey is BAJFMDSQOIBWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O4S/c1-2-7-10(21(13,19)20)11(12)15(14-7)8-5-3-4-6-9(8)16(17)18/h3-6H,2H2,1H3.
What are the key properties of 5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride?
5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride has a molecular weight of 350.18 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82916010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).