(1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide

C13H15N5O3S — CID 134103700

IUPAC(1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide
SMILESN#C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H15N5O3S/c14-9-12(13(19)18-7-1-2-8-18)17-16-10-3-5-11(6-4-10)22(15,20)21/h3-6,16H,1-2,7-8H2,(H2,15,20,21)/b17-12+
InChIKeyYVPCKIAVZGXAGI-SFQUDFHCSA-N
MW321.36 g/mol
LogP0.25
Rot. Bonds4

About (1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide

(1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide (PubChem CID 134103700) has the molecular formula C13H15N5O3S and a molecular weight of 321.36 g/mol. Its IUPAC name is (1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide
PubChem CID134103700
Molecular FormulaC13H15N5O3S
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC Name(1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide
SMILESN#C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H15N5O3S/c14-9-12(13(19)18-7-1-2-8-18)17-16-10-3-5-11(6-4-10)22(15,20)21/h3-6,16H,1-2,7-8H2,(H2,15,20,21)/b17-12+
InChIKeyYVPCKIAVZGXAGI-SFQUDFHCSA-N
XLogP0.25
TPSA128.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
CID 177461949
4-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]benzenesulfonamide
CID 108862208
(1E)-N-anilino-2-morpholin-4-yl-2-oxoethanimidoyl cyanide
CID 12526358
N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007
2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 17248914
1-[(Z)-2-cyano-3-(4-sulfamoylanilino)prop-2-enoyl]piperidine-4-carboxylic acid
CID 108832133
(1E)-1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide
CID 6371262
(1E)-N-(4-methyl-2-nitroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
CID 134118632
N-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)anilino]-2-oxo-2-(4-sulfamoylanilino)ethanimidoyl cyanide
CID 4848470
N-(4-sulfamoylphenyl)piperidine-1-carbothioamide
CID 19653686
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
4-(2-cyclopentylidenehydrazinyl)benzenesulfonamide
CID 139083383

Frequently Asked Questions

What is the IUPAC name of (1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide?
The IUPAC name of (1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide (CID 134103700) is (1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide.
What is the SMILES notation for (1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide?
The canonical SMILES for (1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide is N#C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCCC1.
What is the InChIKey of (1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide?
The InChIKey is YVPCKIAVZGXAGI-SFQUDFHCSA-N. The full InChI is InChI=1S/C13H15N5O3S/c14-9-12(13(19)18-7-1-2-8-18)17-16-10-3-5-11(6-4-10)22(15,20)21/h3-6,16H,1-2,7-8H2,(H2,15,20,21)/b17-12+.
What are the key properties of (1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide?
(1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide has a molecular weight of 321.36 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-oxo-2-pyrrolidin-1-yl-N-(4-sulfamoylanilino)ethanimidoyl cyanide is sourced from PubChem (CID 134103700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).