N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide

C18H21ClN2O3S — CID 1121797

IUPACN-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-3-21(4-2)25(23,24)15-10-11-17(19)16(12-15)18(22)20-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyMOQUUTBLKBAUBW-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.30
Rot. Bonds7

About N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide

N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide (PubChem CID 1121797) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
PubChem CID1121797
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-3-21(4-2)25(23,24)15-10-11-17(19)16(12-15)18(22)20-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyMOQUUTBLKBAUBW-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17483208
N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387544
2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 60552354
N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 9165368
2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 42145597
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 27828585
2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
CID 60566384
2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 31217476
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide (CID 1121797) is N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide?
The InChIKey is MOQUUTBLKBAUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-3-21(4-2)25(23,24)15-10-11-17(19)16(12-15)18(22)20-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide?
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 1121797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).