CAS
916179-88-9 Purity
96%
916179-88-9 Purity
96%
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1-(3-Nitrophenylsulfonyl)piperidine
CAS
91619-31-7
Catalog Number
ACM91619317
Category
Other Products
Molecular Weight
270.3049
Molecular Formula
C11H14N2O4S
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Specification
Synonyms
Ambku17165, MLS001213052, MolPort-001-508-717, NSC175845, 1-(3-Nitro-benzenesulfonyl)-piperidine, CID300664, ZINC03848627, BAS 00116566, SMR000504929, 91619-31-7
IUPAC Name
1-(3-nitrophenyl)sulfonylpiperidine
Canonical SMILES
C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
InChI Key
BZBNTCYTNHCSJU-UHFFFAOYSA-N
Boiling Point
429.1ºC at 760 mmHg
Flash Point
213.3ºC
Density
1.374 g/cm³
Exact Mass
270.06700
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 300664?
The molecular formula is C11H14N2O4S.
What is the molecular weight of the compound?
The molecular weight is 270.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-(3-nitrophenyl)sulfonylpiperidine.
What is the InChIKey of the compound?
The InChIKey is BZBNTCYTNHCSJU-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 5 hydrogen bond acceptors.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.7.
What is the topological polar surface area of the compound?
The topological polar surface area is 91.6 Å2.
How many rotatable bonds does the compound have?
The compound has 2 rotatable bonds.
Is the compound's canonical SMILES C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]?
Yes, the compound's canonical SMILES is C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-].
Is the compound's formal charge 0?
Yes, the formal charge of the compound is 0.
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