N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide

C18H22N4O3S — CID 171396056

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N4O3S/c1-3-22(4-2)16-9-5-14(6-10-16)13-20-21-18(23)15-7-11-17(12-8-15)26(19,24)25/h5-13H,3-4H2,1-2H3,(H,21,23)(H2,19,24,25)/b20-13+
InChIKeyWWNRLDXGYYGOQJ-DEDYPNTBSA-N
MW374.47 g/mol
LogP1.94
Rot. Bonds7

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide (PubChem CID 171396056) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide
PubChem CID171396056
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N4O3S/c1-3-22(4-2)16-9-5-14(6-10-16)13-20-21-18(23)15-7-11-17(12-8-15)26(19,24)25/h5-13H,3-4H2,1-2H3,(H,21,23)(H2,19,24,25)/b20-13+
InChIKeyWWNRLDXGYYGOQJ-DEDYPNTBSA-N
XLogP1.94
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide (CID 171396056) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide?
The InChIKey is WWNRLDXGYYGOQJ-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-3-22(4-2)16-9-5-14(6-10-16)13-20-21-18(23)15-7-11-17(12-8-15)26(19,24)25/h5-13H,3-4H2,1-2H3,(H,21,23)(H2,19,24,25)/b20-13+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide has a molecular weight of 374.47 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide is sourced from PubChem (CID 171396056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).