3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide

C17H19ClN2O4S — CID 46652166

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C17H19ClN2O4S/c1-11(2)19-17(21)12-5-4-6-14(9-12)25(22,23)20-15-10-13(18)7-8-16(15)24-3/h4-11,20H,1-3H3,(H,19,21)
InChIKeyJKDCYWSYRYTWLA-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.29
Rot. Bonds6

About 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 46652166) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
PubChem CID46652166
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C17H19ClN2O4S/c1-11(2)19-17(21)12-5-4-6-14(9-12)25(22,23)20-15-10-13(18)7-8-16(15)24-3/h4-11,20H,1-3H3,(H,19,21)
InChIKeyJKDCYWSYRYTWLA-UHFFFAOYSA-N
XLogP3.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-ethylphenyl)benzamide
CID 46540697
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521474
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide
CID 56523456
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 43002443
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 24816551
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861039
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 4795153
N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
CID 26582371

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide (CID 46652166) is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC(C)C)c1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is JKDCYWSYRYTWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-11(2)19-17(21)12-5-4-6-14(9-12)25(22,23)20-15-10-13(18)7-8-16(15)24-3/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 382.87 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 46652166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).