3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide

C15H23N5O5S — CID 119445662

IUPAC3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCNCC1
InChIInChI=1S/C15H23N5O5S/c21-15(17-9-12-19-10-7-16-8-11-19)5-6-18-26(24,25)14-3-1-13(2-4-14)20(22)23/h1-4,16,18H,5-12H2,(H,17,21)
InChIKeyVSGNKOJZVZKZKH-UHFFFAOYSA-N
MW385.45 g/mol
LogP-0.72
Rot. Bonds9

About 3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide

3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide (PubChem CID 119445662) has the molecular formula C15H23N5O5S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
PubChem CID119445662
Molecular FormulaC15H23N5O5S
Molecular Weight385.45 g/mol
Exact Mass385.14
IUPAC Name3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCNCC1
InChIInChI=1S/C15H23N5O5S/c21-15(17-9-12-19-10-7-16-8-11-19)5-6-18-26(24,25)14-3-1-13(2-4-14)20(22)23/h1-4,16,18H,5-12H2,(H,17,21)
InChIKeyVSGNKOJZVZKZKH-UHFFFAOYSA-N
XLogP-0.72
TPSA133.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
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

3-[(4-nitrophenyl)sulfonylamino]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391413
4-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966206
4-nitro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994818
4-nitro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119400810
N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 119382683
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555842
4-nitro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17192841
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride
CID 119430375
3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
CID 119425175
3-(4-nitropyrazol-1-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446899
3-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119305416

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide (CID 119445662) is 3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide is O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCNCC1.
What is the InChIKey of 3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide?
The InChIKey is VSGNKOJZVZKZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O5S/c21-15(17-9-12-19-10-7-16-8-11-19)5-6-18-26(24,25)14-3-1-13(2-4-14)20(22)23/h1-4,16,18H,5-12H2,(H,17,21).
What are the key properties of 3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide?
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide has a molecular weight of 385.45 g/mol, XLogP of -0.72, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 119445662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).