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

C13H18N4O5S — CID 119752401

IUPACN-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCNC1
InChIInChI=1S/C13H18N4O5S/c18-13(10-5-6-14-9-10)15-7-8-16-23(21,22)12-3-1-11(2-4-12)17(19)20/h1-4,10,14,16H,5-9H2,(H,15,18)
InChIKeyWGRAKBKZHXQDOP-UHFFFAOYSA-N
MW342.38 g/mol
LogP-0.40
Rot. Bonds7

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

N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide (PubChem CID 119752401) has the molecular formula C13H18N4O5S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
PubChem CID119752401
Molecular FormulaC13H18N4O5S
Molecular Weight342.38 g/mol
Exact Mass342.10
IUPAC NameN-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCNC1
InChIInChI=1S/C13H18N4O5S/c18-13(10-5-6-14-9-10)15-7-8-16-23(21,22)12-3-1-11(2-4-12)17(19)20/h1-4,10,14,16H,5-9H2,(H,15,18)
InChIKeyWGRAKBKZHXQDOP-UHFFFAOYSA-N
XLogP-0.40
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
CID 119755146
N-[2-(4-nitrophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119745885
N-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006821
4-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63622886
3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
CID 119425175
(3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
CID 81140879
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108572388
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119305408
(2R,3S)-2-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
CID 120928111
N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119821892
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555842
N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
CID 60876167

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide (CID 119752401) is N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide is O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCNC1.
What is the InChIKey of N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is WGRAKBKZHXQDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O5S/c18-13(10-5-6-14-9-10)15-7-8-16-23(21,22)12-3-1-11(2-4-12)17(19)20/h1-4,10,14,16H,5-9H2,(H,15,18).
What are the key properties of N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide?
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 342.38 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119752401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).