3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide

C20H19N3O3S — CID 9359854

IUPAC3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H19N3O3S/c1-23(2)27(25,26)19-9-5-8-18(13-19)20(24)22-21-14-15-10-11-16-6-3-4-7-17(16)12-15/h3-14H,1-2H3,(H,22,24)/b21-14-
InChIKeyWSIJKSXTIUAGHE-STZFKDTASA-N
MW381.46 g/mol
LogP2.85
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide

3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide (PubChem CID 9359854) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
PubChem CID9359854
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H19N3O3S/c1-23(2)27(25,26)19-9-5-8-18(13-19)20(24)22-21-14-15-10-11-16-6-3-4-7-17(16)12-15/h3-14H,1-2H3,(H,22,24)/b21-14-
InChIKeyWSIJKSXTIUAGHE-STZFKDTASA-N
XLogP2.85
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359889
methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate
CID 9360011
3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 9359955
3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 5407114
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359899
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359895
3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 6910456
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 135852564
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide (CID 9359854) is 3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide?
The InChIKey is WSIJKSXTIUAGHE-STZFKDTASA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-23(2)27(25,26)19-9-5-8-18(13-19)20(24)22-21-14-15-10-11-16-6-3-4-7-17(16)12-15/h3-14H,1-2H3,(H,22,24)/b21-14-.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide?
3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide has a molecular weight of 381.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 9359854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).