4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide

C18H17N3O6S — CID 155819077

IUPAC4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(c2ccccc2)CC1=O
InChIInChI=1S/C18H17N3O6S/c22-17-10-14(13-4-2-1-3-5-13)12-20(17)18(23)11-19-28(26,27)16-8-6-15(7-9-16)21(24)25/h1-9,14,19H,10-12H2
InChIKeyMXBCHAVIWNDLAP-UHFFFAOYSA-N
MW403.42 g/mol
LogP1.42
Rot. Bonds6

About 4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide

4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 155819077) has the molecular formula C18H17N3O6S and a molecular weight of 403.42 g/mol. Its IUPAC name is 4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide
PubChem CID155819077
Molecular FormulaC18H17N3O6S
Molecular Weight403.42 g/mol
Exact Mass403.08
IUPAC Name4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(c2ccccc2)CC1=O
InChIInChI=1S/C18H17N3O6S/c22-17-10-14(13-4-2-1-3-5-13)12-20(17)18(23)11-19-28(26,27)16-8-6-15(7-9-16)21(24)25/h1-9,14,19H,10-12H2
InChIKeyMXBCHAVIWNDLAP-UHFFFAOYSA-N
XLogP1.42
TPSA126.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 51.42
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

1-(4-nitrobenzoyl)-4-phenylpyrrolidin-2-one
CID 4171984
N-(1-methyl-5-oxopyrrolidin-3-yl)-2-[(4-nitrophenyl)sulfonylamino]acetamide
CID 67085352
N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-[(4-nitrophenyl)sulfonylamino]acetamide
CID 124564945
N-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 15751182
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 110370809
2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 6279022
4-nitrobenzenesulfonyl chloride;4-nitro-N-(2-oxopropyl)benzenesulfonamide
CID 91082928
4-nitro-N-[1-(2-phenylacetyl)piperidin-4-yl]benzenesulfonamide
CID 108564334
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108572388
4-nitro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 17192800
1-[3-[(4-nitrophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid
CID 119355051
N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide
CID 124679803

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide (CID 155819077) is 4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(c2ccccc2)CC1=O.
What is the InChIKey of 4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is MXBCHAVIWNDLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6S/c22-17-10-14(13-4-2-1-3-5-13)12-20(17)18(23)11-19-28(26,27)16-8-6-15(7-9-16)21(24)25/h1-9,14,19H,10-12H2.
What are the key properties of 4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide?
4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 403.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[2-oxo-2-(2-oxo-4-phenylpyrrolidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 155819077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).