4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide

C18H22ClN3O3S — CID 119266237

IUPAC4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(CN)cc2)ccc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-3-22(4-2)26(24,25)17-11-15(9-10-16(17)19)21-18(23)14-7-5-13(12-20)6-8-14/h5-11H,3-4,12,20H2,1-2H3,(H,21,23)
InChIKeyMUWHZIOMYBYWQB-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.08
Rot. Bonds7

About 4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide

4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide (PubChem CID 119266237) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
PubChem CID119266237
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(CN)cc2)ccc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-3-22(4-2)26(24,25)17-11-15(9-10-16(17)19)21-18(23)14-7-5-13(12-20)6-8-14/h5-11H,3-4,12,20H2,1-2H3,(H,21,23)
InChIKeyMUWHZIOMYBYWQB-UHFFFAOYSA-N
XLogP3.08
TPSA92.50 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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide
CID 78884488
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511
5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide
CID 55666487
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 119679886
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119679885
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 55340939
N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630897
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8873029
2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 51618352

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide (CID 119266237) is 4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(CN)cc2)ccc1Cl.
What is the InChIKey of 4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide?
The InChIKey is MUWHZIOMYBYWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-3-22(4-2)26(24,25)17-11-15(9-10-16(17)19)21-18(23)14-7-5-13(12-20)6-8-14/h5-11H,3-4,12,20H2,1-2H3,(H,21,23).
What are the key properties of 4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide?
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide has a molecular weight of 395.91 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 119266237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).