4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide

C13H18N4O6S — CID 119755120

IUPAC4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC(O)CN1
InChIInChI=1S/C13H18N4O6S/c18-10-7-12(15-8-10)13(19)14-4-5-16-24(22,23)11-3-1-2-9(6-11)17(20)21/h1-3,6,10,12,15-16,18H,4-5,7-8H2,(H,14,19)
InChIKeyVRGQFNRAXDKESS-UHFFFAOYSA-N
MW358.38 g/mol
LogP-1.29
Rot. Bonds7

About 4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide (PubChem CID 119755120) has the molecular formula C13H18N4O6S and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
PubChem CID119755120
Molecular FormulaC13H18N4O6S
Molecular Weight358.38 g/mol
Exact Mass358.09
IUPAC Name4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC(O)CN1
InChIInChI=1S/C13H18N4O6S/c18-10-7-12(15-8-10)13(19)14-4-5-16-24(22,23)11-3-1-2-9(6-11)17(20)21/h1-3,6,10,12,15-16,18H,4-5,7-8H2,(H,14,19)
InChIKeyVRGQFNRAXDKESS-UHFFFAOYSA-N
XLogP-1.29
TPSA150.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
CID 119755146
4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670749
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119305408
4-methylsulfonyl-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 55542230
4-hydroxy-N-[4-(4-nitrophenyl)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119778305
N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 60593476
N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
CID 119755122
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
CID 119752401
3-nitro-N-octylbenzenesulfonamide
CID 19681347
N',2,2,3,3-pentamethyl-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]azetidine-1-carboximidamide
CID 109452697
N-(2-tert-butylsulfanylethyl)-3-nitrobenzenesulfonamide
CID 2966976
2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide
CID 56552597

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide (CID 119755120) is 4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide is O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is VRGQFNRAXDKESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O6S/c18-10-7-12(15-8-10)13(19)14-4-5-16-24(22,23)11-3-1-2-9(6-11)17(20)21/h1-3,6,10,12,15-16,18H,4-5,7-8H2,(H,14,19).
What are the key properties of 4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 358.38 g/mol, XLogP of -1.29, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119755120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).