4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide

C20H22ClN3O3S — CID 55594718

IUPAC4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)c2ccc(C#N)cc2)ccc1Cl
InChIInChI=1S/C20H22ClN3O3S/c1-4-24(5-2)28(26,27)19-12-17(10-11-18(19)21)20(25)23-14(3)16-8-6-15(13-22)7-9-16/h6-12,14H,4-5H2,1-3H3,(H,23,25)
InChIKeyWLWZXIZMYQBXLR-UHFFFAOYSA-N
MW419.93 g/mol
LogP3.73
Rot. Bonds7

About 4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide

4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide (PubChem CID 55594718) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide
PubChem CID55594718
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC Name4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)c2ccc(C#N)cc2)ccc1Cl
InChIInChI=1S/C20H22ClN3O3S/c1-4-24(5-2)28(26,27)19-12-17(10-11-18(19)21)20(25)23-14(3)16-8-6-15(13-22)7-9-16/h6-12,14H,4-5H2,1-3H3,(H,23,25)
InChIKeyWLWZXIZMYQBXLR-UHFFFAOYSA-N
XLogP3.73
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 9451752
4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
CID 8914920
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 55313748
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide
CID 6915635
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 43874005
3-(tert-butylsulfamoyl)-4-chloro-N-[1-(4-cyanophenyl)ethyl]-N-ethylbenzamide
CID 55591996
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide (CID 55594718) is 4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)c2ccc(C#N)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is WLWZXIZMYQBXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c1-4-24(5-2)28(26,27)19-12-17(10-11-18(19)21)20(25)23-14(3)16-8-6-15(13-22)7-9-16/h6-12,14H,4-5H2,1-3H3,(H,23,25).
What are the key properties of 4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide?
4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 419.93 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 55594718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).