N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide

C22H25ClN4O4S — CID 55481130

IUPACN-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(Cl)c(C#N)c2)c1
InChIInChI=1S/C22H25ClN4O4S/c1-3-27(4-2)32(29,30)18-6-8-21(26-9-11-31-12-10-26)19(14-18)22(28)25-17-5-7-20(23)16(13-17)15-24/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,28)
InChIKeyHYSRINHJCUAFIB-UHFFFAOYSA-N
MW476.99 g/mol
LogP3.33
Rot. Bonds7

About N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide

N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide (PubChem CID 55481130) has the molecular formula C22H25ClN4O4S and a molecular weight of 476.99 g/mol. Its IUPAC name is N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide
PubChem CID55481130
Molecular FormulaC22H25ClN4O4S
Molecular Weight476.99 g/mol
Exact Mass476.13
IUPAC NameN-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(Cl)c(C#N)c2)c1
InChIInChI=1S/C22H25ClN4O4S/c1-3-27(4-2)32(29,30)18-6-8-21(26-9-11-31-12-10-26)19(14-18)22(28)25-17-5-7-20(23)16(13-17)15-24/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,28)
InChIKeyHYSRINHJCUAFIB-UHFFFAOYSA-N
XLogP3.33
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.99
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-morpholin-4-ylbenzamide
CID 55990599
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide
CID 55669464
N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55463873
2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
2-chloro-5-(diethylsulfamoyl)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3584182
2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55480384
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23100233
N-(4-chloro-3-cyanophenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579596
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide (CID 55481130) is N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(Cl)c(C#N)c2)c1.
What is the InChIKey of N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The InChIKey is HYSRINHJCUAFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O4S/c1-3-27(4-2)32(29,30)18-6-8-21(26-9-11-31-12-10-26)19(14-18)22(28)25-17-5-7-20(23)16(13-17)15-24/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,28).
What are the key properties of N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide?
N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide has a molecular weight of 476.99 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 55481130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).