1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine

C15H19ClN2O4S — CID 47956379

IUPAC1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine
SMILESO=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C15H19ClN2O4S/c16-12-7-3-8-14(18(19)20)15(12)23(21,22)17-10-4-9-13(17)11-5-1-2-6-11/h3,7-8,11,13H,1-2,4-6,9-10H2
InChIKeyDIMBAMQNEFPJRJ-UHFFFAOYSA-N
MW358.85 g/mol
LogP3.59
Rot. Bonds4

About 1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine

1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine (PubChem CID 47956379) has the molecular formula C15H19ClN2O4S and a molecular weight of 358.85 g/mol. Its IUPAC name is 1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine.

Molecular Properties

Compound Name1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine
PubChem CID47956379
Molecular FormulaC15H19ClN2O4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC Name1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine
SMILESO=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C15H19ClN2O4S/c16-12-7-3-8-14(18(19)20)15(12)23(21,22)17-10-4-9-13(17)11-5-1-2-6-11/h3,7-8,11,13H,1-2,4-6,9-10H2
InChIKeyDIMBAMQNEFPJRJ-UHFFFAOYSA-N
XLogP3.59
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.59
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

(4aR,8aS)-1-(2,6-dichlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926516
1-(2-chloro-6-nitrophenyl)sulfonylazepane
CID 47952505
1-(2-chloro-6-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 120714737
1-(2-chloro-6-nitrophenyl)sulfonyl-3,5-dimethylpiperidine
CID 47952659
(4aR,8aS)-1-(5-nitrothiophen-2-yl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 95049249
(4aS,8aR)-1-(4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 6946060
1-(2-chloro-6-nitrophenyl)sulfonyl-3-methylpiperazine
CID 119982023
N-[[1-(2-chloro-6-nitrophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990460
1-[1-(2-chloro-6-nitrophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 119977694
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline
CID 115329975
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-2-chloroaniline
CID 115329759
(4aR,8aR)-4-(2,6-dichlorophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 100890241

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine?
The IUPAC name of 1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine (CID 47956379) is 1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine.
What is the SMILES notation for 1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine?
The canonical SMILES for 1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine is O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC1C1CCCC1.
What is the InChIKey of 1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine?
The InChIKey is DIMBAMQNEFPJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4S/c16-12-7-3-8-14(18(19)20)15(12)23(21,22)17-10-4-9-13(17)11-5-1-2-6-11/h3,7-8,11,13H,1-2,4-6,9-10H2.
What are the key properties of 1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine?
1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine has a molecular weight of 358.85 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-nitrophenyl)sulfonyl-2-cyclopentylpyrrolidine is sourced from PubChem (CID 47956379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).