N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide

C16H18N4O3S — CID 177470196

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C16H18N4O3S/c1-20(2)13-9-7-12(8-10-13)11-18-19-16(21)14-5-3-4-6-15(14)24(17,22)23/h3-11H,1-2H3,(H,19,21)(H2,17,22,23)/b18-11+
InChIKeyRJSDLXIEJVCZSN-WOJGMQOQSA-N
MW346.41 g/mol
LogP1.16
Rot. Bonds5

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide (PubChem CID 177470196) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide
PubChem CID177470196
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C16H18N4O3S/c1-20(2)13-9-7-12(8-10-13)11-18-19-16(21)14-5-3-4-6-15(14)24(17,22)23/h3-11H,1-2H3,(H,19,21)(H2,17,22,23)/b18-11+
InChIKeyRJSDLXIEJVCZSN-WOJGMQOQSA-N
XLogP1.16
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.16
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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Related Compounds

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
CID 4604645
2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 4592443
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 6283870
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 5347000
N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
CID 793892
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide
CID 4666849
3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983896
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide (CID 177470196) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide is CN(C)c1ccc(/C=N/NC(=O)c2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide?
The InChIKey is RJSDLXIEJVCZSN-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-20(2)13-9-7-12(8-10-13)11-18-19-16(21)14-5-3-4-6-15(14)24(17,22)23/h3-11H,1-2H3,(H,19,21)(H2,17,22,23)/b18-11+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide has a molecular weight of 346.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide is sourced from PubChem (CID 177470196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).