3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide

C19H20ClN3O4S — CID 56523456

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N(C)C(C)CC#N)c1
InChIInChI=1S/C19H20ClN3O4S/c1-13(9-10-21)23(2)19(24)14-5-4-6-16(11-14)28(25,26)22-17-12-15(20)7-8-18(17)27-3/h4-8,11-13,22H,9H2,1-3H3
InChIKeyCUBGDXLEIIOQFJ-UHFFFAOYSA-N
MW421.91 g/mol
LogP3.52
Rot. Bonds7

About 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide (PubChem CID 56523456) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide
PubChem CID56523456
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N(C)C(C)CC#N)c1
InChIInChI=1S/C19H20ClN3O4S/c1-13(9-10-21)23(2)19(24)14-5-4-6-16(11-14)28(25,26)22-17-12-15(20)7-8-18(17)27-3/h4-8,11-13,22H,9H2,1-3H3
InChIKeyCUBGDXLEIIOQFJ-UHFFFAOYSA-N
XLogP3.52
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide
CID 39584336
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 46601321
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 24816551
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-ethylphenyl)benzamide
CID 46540697
N-(1-cyanopropan-2-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81005646
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 43002443
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861039
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide
CID 55530644
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521474

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide (CID 56523456) is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N(C)C(C)CC#N)c1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide?
The InChIKey is CUBGDXLEIIOQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-13(9-10-21)23(2)19(24)14-5-4-6-16(11-14)28(25,26)22-17-12-15(20)7-8-18(17)27-3/h4-8,11-13,22H,9H2,1-3H3.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide?
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide has a molecular weight of 421.91 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 56523456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).