N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide

C19H21ClN2O3S — CID 31866538

IUPACN-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H21ClN2O3S/c1-4-12-22(14-15-8-6-5-7-9-15)19(23)16-10-11-17(20)18(13-16)26(24,25)21(2)3/h4-11,13H,1,12,14H2,2-3H3
InChIKeyWGTICJKDMBUPDP-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.42
Rot. Bonds7

About N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide

N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide (PubChem CID 31866538) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide
PubChem CID31866538
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H21ClN2O3S/c1-4-12-22(14-15-8-6-5-7-9-15)19(23)16-10-11-17(20)18(13-16)26(24,25)21(2)3/h4-11,13H,1,12,14H2,2-3H3
InChIKeyWGTICJKDMBUPDP-UHFFFAOYSA-N
XLogP3.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 51189994
3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide
CID 30878670
3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide
CID 43002771
N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 5126188
4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 31213510
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 29441571
N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 3608681
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
CID 32736718
4-[methyl(phenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 78784352
4-chloro-N-methyl-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 55642713
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 26591753

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide?
The IUPAC name of N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide (CID 31866538) is N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide?
The canonical SMILES for N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide is C=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide?
The InChIKey is WGTICJKDMBUPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-4-12-22(14-15-8-6-5-7-9-15)19(23)16-10-11-17(20)18(13-16)26(24,25)21(2)3/h4-11,13H,1,12,14H2,2-3H3.
What are the key properties of N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide?
N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide has a molecular weight of 392.91 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-3-(dimethylsulfamoyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 31866538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).