1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine

C10H11ClN2O4S — CID 2768393

IUPAC1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C10H11ClN2O4S/c11-9-4-3-8(7-10(9)13(14)15)18(16,17)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKeyBYKGYPUOJVMANL-UHFFFAOYSA-N
MW290.73 g/mol
LogP2.03
Rot. Bonds3

About 1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine

1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine (PubChem CID 2768393) has the molecular formula C10H11ClN2O4S and a molecular weight of 290.73 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine
PubChem CID2768393
Molecular FormulaC10H11ClN2O4S
Molecular Weight290.73 g/mol
Exact Mass290.01
IUPAC Name1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C10H11ClN2O4S/c11-9-4-3-8(7-10(9)13(14)15)18(16,17)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKeyBYKGYPUOJVMANL-UHFFFAOYSA-N
XLogP2.03
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-Chloro-3-nitrobenzenesulfonamide
CID 7324
Benzenesulfonyl fluoride, 4-chloro-3-nitro-
CID 96713
Benzenesulfonyl chloride, 4-chloro-3-nitro-
CID 7323
1-((3-Nitrophenyl)sulfonyl)pyrrolidine
CID 247203
Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-
CID 67301
Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-
CID 67302
Benzenesulfonamide, 4-chloro-N,N-dimethyl-3-nitro-
CID 67300
Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)
CID 87246
4-chloro-N,N-diethyl-3-nitrobenzenesulfonamide
CID 2833646
1-[(4-Chloro-3-nitrophenyl)sulfonyl]-4-methylpiperazine
CID 2842419
2'-Chloro-3-nitrobenzenesulfonanilide
CID 232034
4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide
CID 66780

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine (CID 2768393) is 1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine is O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine?
The InChIKey is BYKGYPUOJVMANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4S/c11-9-4-3-8(7-10(9)13(14)15)18(16,17)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine?
1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine has a molecular weight of 290.73 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 2768393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).