N-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

C19H21N3O5S — CID 1106223

IUPACN-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C19H21N3O5S/c23-19(20-12-5-2-6-13-20)15-21(16-8-7-9-17(14-16)22(24)25)28(26,27)18-10-3-1-4-11-18/h1,3-4,7-11,14H,2,5-6,12-13,15H2
InChIKeyCKDHLOCDXXWOPN-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.80
Rot. Bonds6

About N-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

N-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 1106223) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID1106223
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C19H21N3O5S/c23-19(20-12-5-2-6-13-20)15-21(16-8-7-9-17(14-16)22(24)25)28(26,27)18-10-3-1-4-11-18/h1,3-4,7-11,14H,2,5-6,12-13,15H2
InChIKeyCKDHLOCDXXWOPN-UHFFFAOYSA-N
XLogP2.80
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
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

N-[2-(morpholin-4-yl)-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide
CID 887128
N-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-phenyloxamide
CID 2883755
1-(Benzenesulfonyl)-4-(4-nitrophenyl)piperazine
CID 3113458
N-(1-Methyl-piperidin-4-ylidene-hydrazinocarbonylmethyl)-N-(3-nitro-phenyl)-benzenesulfonamide
CID 1107740
N-Isopropyl-N-[3-(4-methyl-piperazin-1-yl)-phenyl]-4-nitro-benzenesulfonamide
CID 49864689
1-(2-Nitrophenyl)sulfonyl-4-phenylpiperazine
CID 779470
CB29 (derivative 19)
CID 17560769
2-[Benzenesulfonyl-(3-nitro-phenyl)-amino]-N-(4-methyl-benzyl)-acetamide
CID 1016301
4-Fluoro-N-{2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-N-methyl-benzenesulfonamide
CID 1305605
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
CID 1337443
N~1~,N~1~-dimethyl-N~2~-[(4-methylphenyl)sulfonyl]-N~2~-(3-nitrophenyl)glycinamide
CID 2199717
N-Isobutyl-2-[(2-nitro-benzenesulfonyl)-phenyl-amino]-acetamide
CID 2252291

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 1106223) is N-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of N-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is CKDHLOCDXXWOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c23-19(20-12-5-2-6-13-20)15-21(16-8-7-9-17(14-16)22(24)25)28(26,27)18-10-3-1-4-11-18/h1,3-4,7-11,14H,2,5-6,12-13,15H2.
What are the key properties of N-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
N-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 403.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1106223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).