N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide

C24H19ClF4N2O4S2 — CID 126479387

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Sc2ccc(F)cc2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H19ClF4N2O4S2/c25-19-7-2-16(24(27,28)29)14-20(19)30-23(32)15-1-8-21(36-18-5-3-17(26)4-6-18)22(13-15)37(33,34)31-9-11-35-12-10-31/h1-8,13-14H,9-12H2,(H,30,32)
InChIKeyULTUFVCJLGIUPE-UHFFFAOYSA-N
MW575.01 g/mol
LogP5.92
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 126479387) has the molecular formula C24H19ClF4N2O4S2 and a molecular weight of 575.01 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID126479387
Molecular FormulaC24H19ClF4N2O4S2
Molecular Weight575.01 g/mol
Exact Mass574.04
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Sc2ccc(F)cc2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H19ClF4N2O4S2/c25-19-7-2-16(24(27,28)29)14-20(19)30-23(32)15-1-8-21(36-18-5-3-17(26)4-6-18)22(13-15)37(33,34)31-9-11-35-12-10-31/h1-8,13-14H,9-12H2,(H,30,32)
InChIKeyULTUFVCJLGIUPE-UHFFFAOYSA-N
XLogP5.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.01
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892289
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 163347502
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892199
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228686
4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 24637915
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55895692
4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 46426309
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide (CID 126479387) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Sc2ccc(F)cc2)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ULTUFVCJLGIUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF4N2O4S2/c25-19-7-2-16(24(27,28)29)14-20(19)30-23(32)15-1-8-21(36-18-5-3-17(26)4-6-18)22(13-15)37(33,34)31-9-11-35-12-10-31/h1-8,13-14H,9-12H2,(H,30,32).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 575.01 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 126479387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).