3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride

C18H24ClN3O3S — CID 119691040

IUPAC3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(N)c2)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-3-21(4-2)25(23,24)17-10-8-14(9-11-17)13-20-18(22)15-6-5-7-16(19)12-15;/h5-12H,3-4,13,19H2,1-2H3,(H,20,22);1H
InChIKeyWBQVVWOGUIATIA-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.65
Rot. Bonds7

About 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride

3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride (PubChem CID 119691040) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride
PubChem CID119691040
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC Name3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(N)c2)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-3-21(4-2)25(23,24)17-10-8-14(9-11-17)13-20-18(22)15-6-5-7-16(19)12-15;/h5-12H,3-4,13,19H2,1-2H3,(H,20,22);1H
InChIKeyWBQVVWOGUIATIA-UHFFFAOYSA-N
XLogP2.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119179721
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17485125
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910
N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylsulfamoyl)benzamide
CID 2082413
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 51312748
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 55737455
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
3-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;trihydrochloride
CID 119901627

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride (CID 119691040) is 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(N)c2)cc1.Cl.
What is the InChIKey of 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride?
The InChIKey is WBQVVWOGUIATIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c1-3-21(4-2)25(23,24)17-10-8-14(9-11-17)13-20-18(22)15-6-5-7-16(19)12-15;/h5-12H,3-4,13,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride?
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119691040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).