1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide

C20H29ClN4O6S — CID 4848383

IUPAC1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCOCC1
InChIInChI=1S/C20H29ClN4O6S/c1-20(2,23-9-11-31-12-10-23)14-22-19(26)15-5-7-24(8-6-15)32(29,30)18-13-16(25(27)28)3-4-17(18)21/h3-4,13,15H,5-12,14H2,1-2H3,(H,22,26)
InChIKeyLQFULJSNXDVJAL-UHFFFAOYSA-N
MW488.99 g/mol
LogP1.88
Rot. Bonds7

About 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide

1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 4848383) has the molecular formula C20H29ClN4O6S and a molecular weight of 488.99 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID4848383
Molecular FormulaC20H29ClN4O6S
Molecular Weight488.99 g/mol
Exact Mass488.15
IUPAC Name1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCOCC1
InChIInChI=1S/C20H29ClN4O6S/c1-20(2,23-9-11-31-12-10-23)14-22-19(26)15-5-7-24(8-6-15)32(29,30)18-13-16(25(27)28)3-4-17(18)21/h3-4,13,15H,5-12,14H2,1-2H3,(H,22,26)
InChIKeyLQFULJSNXDVJAL-UHFFFAOYSA-N
XLogP1.88
TPSA122.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-benzyl-1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 3320959
1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
CID 8933527
N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 5205912
N-butan-2-yl-1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 4097205
1-(2-chloro-5-nitrophenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 4350714
2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzenesulfonamide
CID 8721919
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate
CID 4691853
(2-Amino-2-oxoethyl) 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate
CID 5192929
[2-Oxo-2-(prop-2-enylamino)ethyl] 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate
CID 3393972
(2-Morpholin-4-yl-2-oxoethyl) 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate
CID 3411357
1-(2-chloro-5-nitrophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 3473322
1-(2-chloro-5-nitrophenyl)sulfonyl-N-[4-(diethylamino)phenyl]piperidine-4-carboxamide
CID 3522858

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 4848383) is 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide is CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCOCC1.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is LQFULJSNXDVJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O6S/c1-20(2,23-9-11-31-12-10-23)14-22-19(26)15-5-7-24(8-6-15)32(29,30)18-13-16(25(27)28)3-4-17(18)21/h3-4,13,15H,5-12,14H2,1-2H3,(H,22,26).
What are the key properties of 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide?
1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 488.99 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 4848383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).