N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide

C18H17Cl2N3O5S — CID 60539560

IUPACN-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H17Cl2N3O5S/c19-13-9-8-12(11-14(13)20)21-18(24)16-6-3-4-10-22(16)29(27,28)17-7-2-1-5-15(17)23(25)26/h1-2,5,7-9,11,16H,3-4,6,10H2,(H,21,24)
InChIKeyUUTPWMBEUSTETI-UHFFFAOYSA-N
MW458.32 g/mol
LogP4.08
Rot. Bonds5

About N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide

N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 60539560) has the molecular formula C18H17Cl2N3O5S and a molecular weight of 458.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide
PubChem CID60539560
Molecular FormulaC18H17Cl2N3O5S
Molecular Weight458.32 g/mol
Exact Mass457.03
IUPAC NameN-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H17Cl2N3O5S/c19-13-9-8-12(11-14(13)20)21-18(24)16-6-3-4-10-22(16)29(27,28)17-7-2-1-5-15(17)23(25)26/h1-2,5,7-9,11,16H,3-4,6,10H2,(H,21,24)
InChIKeyUUTPWMBEUSTETI-UHFFFAOYSA-N
XLogP4.08
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 54.08
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-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654
1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 60539561
1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 42956538
N-(3-chlorophenyl)-1-(4-nitrophenyl)sulfonylpiperidine-2-carboxamide
CID 42949023
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 40830483
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
CID 2648526
(2R)-1-(2-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 1487050
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865547
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679
1-(4-chloro-3-nitrophenyl)sulfonyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702704
N-(4-fluoro-3-nitrophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240550
N-(4-acetamido-2-chlorophenyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 56580125

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide (CID 60539560) is N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is UUTPWMBEUSTETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O5S/c19-13-9-8-12(11-14(13)20)21-18(24)16-6-3-4-10-22(16)29(27,28)17-7-2-1-5-15(17)23(25)26/h1-2,5,7-9,11,16H,3-4,6,10H2,(H,21,24).
What are the key properties of N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide?
N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 458.32 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 60539560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).