1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine

C15H20ClN3O4S — CID 120714276

IUPAC1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(C3CCCN3)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O4S/c16-13-10-12(19(20)21)3-4-15(13)24(22,23)18-8-5-11(6-9-18)14-2-1-7-17-14/h3-4,10-11,14,17H,1-2,5-9H2
InChIKeyKOXGOSCRBVOCGG-UHFFFAOYSA-N
MW373.86 g/mol
LogP2.40
Rot. Bonds4

About 1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine

1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine (PubChem CID 120714276) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is 1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
PubChem CID120714276
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC Name1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(C3CCCN3)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O4S/c16-13-10-12(19(20)21)3-4-15(13)24(22,23)18-8-5-11(6-9-18)14-2-1-7-17-14/h3-4,10-11,14,17H,1-2,5-9H2
InChIKeyKOXGOSCRBVOCGG-UHFFFAOYSA-N
XLogP2.40
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714306
1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971647
1-(2-chloro-4-nitrophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963349
1-(2-chloro-4-nitrophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982016
1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714118
1-(2-chloro-4-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714937
2-chloro-N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607127
4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride
CID 120714269
1-(2-bromo-4-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714383
1-(4-methoxy-3-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714407
1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 29034322
2-(2-chloro-4-nitrophenyl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine;hydrochloride
CID 120583993

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine (CID 120714276) is 1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine is O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(C3CCCN3)CC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The InChIKey is KOXGOSCRBVOCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4S/c16-13-10-12(19(20)21)3-4-15(13)24(22,23)18-8-5-11(6-9-18)14-2-1-7-17-14/h3-4,10-11,14,17H,1-2,5-9H2.
What are the key properties of 1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine has a molecular weight of 373.86 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 120714276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).