N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide

C14H19N3O6S — CID 75392222

IUPACN-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H19N3O6S/c1-2-8-24(22,23)16-7-3-4-12(16)14(19)15-11-9-10(17(20)21)5-6-13(11)18/h5-6,9,12,18H,2-4,7-8H2,1H3,(H,15,19)
InChIKeyVTGRBAPWGLHLDL-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.44
Rot. Bonds6

About N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 75392222) has the molecular formula C14H19N3O6S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID75392222
Molecular FormulaC14H19N3O6S
Molecular Weight357.39 g/mol
Exact Mass357.10
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H19N3O6S/c1-2-8-24(22,23)16-7-3-4-12(16)14(19)15-11-9-10(17(20)21)5-6-13(11)18/h5-6,9,12,18H,2-4,7-8H2,1H3,(H,15,19)
InChIKeyVTGRBAPWGLHLDL-UHFFFAOYSA-N
XLogP1.44
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 1-propylsulfonylpyrrolidine-2-carboxylate
CID 42921045
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240453
N-(2-methyl-5-nitrophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55522382
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide
CID 108789867
(3S)-N-[2-(difluoromethoxy)-5-nitrophenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956527
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 5069648
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 108745181
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24615851
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
(2R)-N-(2-methoxy-5-nitrophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41397946

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 75392222) is N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is VTGRBAPWGLHLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6S/c1-2-8-24(22,23)16-7-3-4-12(16)14(19)15-11-9-10(17(20)21)5-6-13(11)18/h5-6,9,12,18H,2-4,7-8H2,1H3,(H,15,19).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 75392222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).