N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide

C17H20ClN3O3S — CID 109064025

IUPACN-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
SMILESCN(C)CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClN3O3S/c1-21(2)10-9-19-25(23,24)16-8-3-5-13(11-16)17(22)20-15-7-4-6-14(18)12-15/h3-8,11-12,19H,9-10H2,1-2H3,(H,20,22)
InChIKeyMIEPQHLGCDZDOB-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.43
Rot. Bonds7

About N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide

N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide (PubChem CID 109064025) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
PubChem CID109064025
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
SMILESCN(C)CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClN3O3S/c1-21(2)10-9-19-25(23,24)16-8-3-5-13(11-16)17(22)20-15-7-4-6-14(18)12-15/h3-8,11-12,19H,9-10H2,1-2H3,(H,20,22)
InChIKeyMIEPQHLGCDZDOB-UHFFFAOYSA-N
XLogP2.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide
CID 109064040
3-[2-(dimethylamino)ethylsulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 109064018
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
CID 109058758
3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109063983
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300326
N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061299
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994
N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065382
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(4-chloro-2-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065381
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide (CID 109064025) is N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide is CN(C)CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The InChIKey is MIEPQHLGCDZDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-21(2)10-9-19-25(23,24)16-8-3-5-13(11-16)17(22)20-15-7-4-6-14(18)12-15/h3-8,11-12,19H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide?
N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide has a molecular weight of 381.89 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide is sourced from PubChem (CID 109064025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).