1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide

C20H24N4O5S — CID 55346674

IUPAC1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N4O5S/c1-2-23(16-6-4-3-5-7-16)30(28,29)17-8-9-18(19(14-17)24(26)27)22-12-10-15(11-13-22)20(21)25/h3-9,14-15H,2,10-13H2,1H3,(H2,21,25)
InChIKeyAYXOIJDFEBHXEJ-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.51
Rot. Bonds7

About 1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide

1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide (PubChem CID 55346674) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide
PubChem CID55346674
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N4O5S/c1-2-23(16-6-4-3-5-7-16)30(28,29)17-8-9-18(19(14-17)24(26)27)22-12-10-15(11-13-22)20(21)25/h3-9,14-15H,2,10-13H2,1H3,(H2,21,25)
InChIKeyAYXOIJDFEBHXEJ-UHFFFAOYSA-N
XLogP2.51
TPSA126.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitro-N-phenylbenzenesulfonamide
CID 133344495
1-[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]piperidine-4-carboxamide
CID 4816078
4-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
CID 124737598
N-ethyl-4-[(3S)-3-(2-hydroxyethyl)morpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide
CID 97248157
4-chloro-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
CID 5019418
1-[4-[(4-methylphenyl)sulfonylamino]-2-nitrophenyl]piperidine-4-carboxamide
CID 169371095
1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]pyrrolidine-3-carboxamide
CID 60507617
ethyl 2-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]sulfanylacetate
CID 26471860
1-[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]piperidine-4-carboxamide
CID 2930245
4-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 26943074
N-benzyl-1-(4-methylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 27818193
ethyl 4-[4-(diethylsulfamoyl)-2-nitrophenyl]piperazine-1-carboxylate
CID 46797953

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide (CID 55346674) is 1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide?
The InChIKey is AYXOIJDFEBHXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-2-23(16-6-4-3-5-7-16)30(28,29)17-8-9-18(19(14-17)24(26)27)22-12-10-15(11-13-22)20(21)25/h3-9,14-15H,2,10-13H2,1H3,(H2,21,25).
What are the key properties of 1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide?
1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55346674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).