1-(4-chloro-2-nitrophenyl)sulfonylpiperidine

C11H13ClN2O4S — CID 47157093

IUPAC1-(4-chloro-2-nitrophenyl)sulfonylpiperidine
SMILESO=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H13ClN2O4S/c12-9-4-5-11(10(8-9)14(15)16)19(17,18)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeyNFGCLWXOHYNUAJ-UHFFFAOYSA-N
MW304.75 g/mol
LogP2.42
Rot. Bonds3

About 1-(4-chloro-2-nitrophenyl)sulfonylpiperidine

1-(4-chloro-2-nitrophenyl)sulfonylpiperidine (PubChem CID 47157093) has the molecular formula C11H13ClN2O4S and a molecular weight of 304.75 g/mol. Its IUPAC name is 1-(4-chloro-2-nitrophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-chloro-2-nitrophenyl)sulfonylpiperidine
PubChem CID47157093
Molecular FormulaC11H13ClN2O4S
Molecular Weight304.75 g/mol
Exact Mass304.03
IUPAC Name1-(4-chloro-2-nitrophenyl)sulfonylpiperidine
SMILESO=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H13ClN2O4S/c12-9-4-5-11(10(8-9)14(15)16)19(17,18)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeyNFGCLWXOHYNUAJ-UHFFFAOYSA-N
XLogP2.42
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 52.42
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

1-(4-chloro-2-nitrophenyl)sulfonyl-4-methylpiperidine
CID 47157198
1-(4-methyl-2-nitrophenyl)sulfonylazepane
CID 973417
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980088
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715088
(3R)-1-(4-chloro-2-nitrophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 95305756
1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-chloro-2-nitrophenyl)sulfonylpiperazine
CID 55565525
(3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine
CID 43325262
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963067
2-[1-(4-chloro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744905
1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119961906
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-nitrophenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-chloro-2-nitrophenyl)sulfonylpiperidine (CID 47157093) is 1-(4-chloro-2-nitrophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-chloro-2-nitrophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-chloro-2-nitrophenyl)sulfonylpiperidine is O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(4-chloro-2-nitrophenyl)sulfonylpiperidine?
The InChIKey is NFGCLWXOHYNUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4S/c12-9-4-5-11(10(8-9)14(15)16)19(17,18)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2.
What are the key properties of 1-(4-chloro-2-nitrophenyl)sulfonylpiperidine?
1-(4-chloro-2-nitrophenyl)sulfonylpiperidine has a molecular weight of 304.75 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-nitrophenyl)sulfonylpiperidine is sourced from PubChem (CID 47157093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).