5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide

C22H25N5O4S — CID 55536639

IUPAC5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C22H25N5O4S/c1-25(2)32(29,30)18-8-9-20(26-12-14-31-15-13-26)19(16-18)22(28)23-21-10-11-27(24-21)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,24,28)
InChIKeyVQKVKAABBOMMHN-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.21
Rot. Bonds6

About 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide

5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 55536639) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID55536639
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC Name5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C22H25N5O4S/c1-25(2)32(29,30)18-8-9-20(26-12-14-31-15-13-26)19(16-18)22(28)23-21-10-11-27(24-21)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,24,28)
InChIKeyVQKVKAABBOMMHN-UHFFFAOYSA-N
XLogP2.21
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55669437
N-(2,3-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8714248
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 16625939
N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 25411559
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895
[(1S)-1-phenylethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 7883877
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42983355
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 25328833
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 42908422

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide (CID 55536639) is 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide is CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is VQKVKAABBOMMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-25(2)32(29,30)18-8-9-20(26-12-14-31-15-13-26)19(16-18)22(28)23-21-10-11-27(24-21)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,24,28).
What are the key properties of 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide?
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 455.54 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 55536639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).