3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide

C18H21ClN2O3S — CID 109064740

IUPAC3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(S(=O)(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-3-21(4-2)18(22)15-6-5-7-17(12-15)25(23,24)20-13-14-8-10-16(19)11-9-14/h5-12,20H,3-4,13H2,1-2H3
InChIKeyLXZJNXAYFASEJA-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.30
Rot. Bonds7

About 3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide

3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide (PubChem CID 109064740) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
PubChem CID109064740
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(S(=O)(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-3-21(4-2)18(22)15-6-5-7-17(12-15)25(23,24)20-13-14-8-10-16(19)11-9-14/h5-12,20H,3-4,13H2,1-2H3
InChIKeyLXZJNXAYFASEJA-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

3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide
CID 68826106
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N,N-diethyl-3-(pentylsulfamoyl)benzamide
CID 109065070
N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide
CID 109061886
N,N-diethyl-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063741
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide
CID 8897183
N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109064605
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062685
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide
CID 55915255
3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 55438061

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide (CID 109064740) is 3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(S(=O)(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide?
The InChIKey is LXZJNXAYFASEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-3-21(4-2)18(22)15-6-5-7-17(12-15)25(23,24)20-13-14-8-10-16(19)11-9-14/h5-12,20H,3-4,13H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide?
3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide 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 3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide is sourced from PubChem (CID 109064740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).