4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

C19H19F3N2O4S2 — CID 16609512

IUPAC4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H19F3N2O4S2/c20-19(21,22)13-29-17-4-2-1-3-16(17)23-18(25)14-5-7-15(8-6-14)30(26,27)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,23,25)
InChIKeyMSFUJFFWSRDQOW-UHFFFAOYSA-N
MW460.50 g/mol
LogP3.61
Rot. Bonds6

About 4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (PubChem CID 16609512) has the molecular formula C19H19F3N2O4S2 and a molecular weight of 460.50 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
PubChem CID16609512
Molecular FormulaC19H19F3N2O4S2
Molecular Weight460.50 g/mol
Exact Mass460.07
IUPAC Name4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H19F3N2O4S2/c20-19(21,22)13-29-17-4-2-1-3-16(17)23-18(25)14-5-7-15(8-6-14)30(26,27)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,23,25)
InChIKeyMSFUJFFWSRDQOW-UHFFFAOYSA-N
XLogP3.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrrole-2-carboxamide
CID 55514549
4-morpholin-4-ylsulfonyl-N-(2-propan-2-ylphenyl)benzamide
CID 7958233
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517
1-(benzenesulfonyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 16609522
N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 100679235
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
N-[(2R)-butan-2-yl]-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706280
4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 55554211
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 163347502
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
N-[2-(difluoromethylsulfanyl)phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 36671680
4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068510

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (CID 16609512) is 4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is O=C(Nc1ccccc1SCC(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The InChIKey is MSFUJFFWSRDQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4S2/c20-19(21,22)13-29-17-4-2-1-3-16(17)23-18(25)14-5-7-15(8-6-14)30(26,27)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,23,25).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide has a molecular weight of 460.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 16609512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).