4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C19H19F3N2O4S — CID 46764240

IUPAC4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H19F3N2O4S/c20-19(21,22)16-2-1-3-17(12-16)23-18(25)15-6-4-14(5-7-15)13-29(26,27)24-8-10-28-11-9-24/h1-7,12H,8-11,13H2,(H,23,25)
InChIKeyQGDBZTGVOCONPV-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.12
Rot. Bonds5

About 4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide

4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 46764240) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is 4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID46764240
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC Name4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H19F3N2O4S/c20-19(21,22)16-2-1-3-17(12-16)23-18(25)15-6-4-14(5-7-15)13-29(26,27)24-8-10-28-11-9-24/h1-7,12H,8-11,13H2,(H,23,25)
InChIKeyQGDBZTGVOCONPV-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28631351
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43886199
methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862
ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28575201
N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763734
N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99955558
methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92672400
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393222

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 46764240) is 4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QGDBZTGVOCONPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c20-19(21,22)16-2-1-3-17(12-16)23-18(25)15-6-4-14(5-7-15)13-29(26,27)24-8-10-28-11-9-24/h1-7,12H,8-11,13H2,(H,23,25).
What are the key properties of 4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 428.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 46764240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).