3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide

C15H19N3O3S — CID 9359935

IUPAC3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
SMILESCC1=C/C(=N\NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C15H19N3O3S/c1-11-7-8-13(9-11)16-17-15(19)12-5-4-6-14(10-12)22(20,21)18(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,17,19)/b16-13-
InChIKeyKPJBWJOYXUGOHK-SSZFMOIBSA-N
MW321.40 g/mol
LogP1.76
Rot. Bonds4

About 3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide

3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide (PubChem CID 9359935) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
PubChem CID9359935
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
SMILESCC1=C/C(=N\NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C15H19N3O3S/c1-11-7-8-13(9-11)16-17-15(19)12-5-4-6-14(10-12)22(20,21)18(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,17,19)/b16-13-
InChIKeyKPJBWJOYXUGOHK-SSZFMOIBSA-N
XLogP1.76
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.76
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)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359863
3-(dimethylsulfamoyl)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide
CID 8979011
3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 9359955
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)-naphthalen-2-ylmethylideneamino]benzamide
CID 9359854
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359899
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 17463497
3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473259
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide (CID 9359935) is 3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide is CC1=C/C(=N\NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide?
The InChIKey is KPJBWJOYXUGOHK-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-7-8-13(9-11)16-17-15(19)12-5-4-6-14(10-12)22(20,21)18(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,17,19)/b16-13-.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide?
3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide has a molecular weight of 321.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide is sourced from PubChem (CID 9359935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).