4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide

C19H22N4O5S — CID 9271650

IUPAC4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN3CCCCC3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O5S/c1-14-5-10-17(13-18(14)23(25)26)29(27,28)21-16-8-6-15(7-9-16)19(24)20-22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12H2,1H3,(H,20,24)
InChIKeyCOUUZJUGCIAYRZ-UHFFFAOYSA-N
MW418.48 g/mol
LogP2.83
Rot. Bonds6

About 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide

4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide (PubChem CID 9271650) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide
PubChem CID9271650
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC Name4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN3CCCCC3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O5S/c1-14-5-10-17(13-18(14)23(25)26)29(27,28)21-16-8-6-15(7-9-16)19(24)20-22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12H2,1H3,(H,20,24)
InChIKeyCOUUZJUGCIAYRZ-UHFFFAOYSA-N
XLogP2.83
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
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

4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 25342302
4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 26537691
N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 46412532
N-(1,3-benzodioxol-5-yl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 27648604
N-(4-fluoro-2-methylphenyl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 26886321
4-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 26978988
N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide
CID 26576093
propan-2-yl 4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate
CID 4824355
4-methyl-3-nitro-N-[4-(2-pyridin-4-ylazepane-1-carbonyl)phenyl]benzenesulfonamide
CID 55963104
N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 55408015
2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 55439570
2-hydroxy-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid
CID 5035463

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide?
The IUPAC name of 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide (CID 9271650) is 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide?
The canonical SMILES for 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN3CCCCC3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide?
The InChIKey is COUUZJUGCIAYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-14-5-10-17(13-18(14)23(25)26)29(27,28)21-16-8-6-15(7-9-16)19(24)20-22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12H2,1H3,(H,20,24).
What are the key properties of 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide?
4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide has a molecular weight of 418.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 9271650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).