N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide

C18H22ClN3O3S — CID 109060186

IUPACN-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-13-16(19)5-4-6-17(13)21-18(23)14-7-9-15(10-8-14)26(24,25)20-11-12-22(2)3/h4-10,20H,11-12H2,1-3H3,(H,21,23)
InChIKeyASKGYCLNMVJSHX-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.74
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide

N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide (PubChem CID 109060186) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
PubChem CID109060186
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-13-16(19)5-4-6-17(13)21-18(23)14-7-9-15(10-8-14)26(24,25)20-11-12-22(2)3/h4-10,20H,11-12H2,1-3H3,(H,21,23)
InChIKeyASKGYCLNMVJSHX-UHFFFAOYSA-N
XLogP2.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059936
4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 109060178
N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060135
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 21173367
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 4793513
N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide
CID 109061392
N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192157
3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053440
N-(3-chloro-2-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383212
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide (CID 109060186) is N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide is Cc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The InChIKey is ASKGYCLNMVJSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-13-16(19)5-4-6-17(13)21-18(23)14-7-9-15(10-8-14)26(24,25)20-11-12-22(2)3/h4-10,20H,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide?
N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide has a molecular weight of 395.91 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide is sourced from PubChem (CID 109060186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).