N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide

C24H20ClF3N2O4S — CID 4207677

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H20ClF3N2O4S/c25-21-10-9-18(15-22(21)35(32,33)30-11-13-34-14-12-30)29-23(31)20-4-2-1-3-19(20)16-5-7-17(8-6-16)24(26,27)28/h1-10,15H,11-14H2,(H,29,31)
InChIKeyUNBFMDOPLSEWEF-UHFFFAOYSA-N
MW524.95 g/mol
LogP5.30
Rot. Bonds5

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 4207677) has the molecular formula C24H20ClF3N2O4S and a molecular weight of 524.95 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID4207677
Molecular FormulaC24H20ClF3N2O4S
Molecular Weight524.95 g/mol
Exact Mass524.08
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H20ClF3N2O4S/c25-21-10-9-18(15-22(21)35(32,33)30-11-13-34-14-12-30)29-23(31)20-4-2-1-3-19(20)16-5-7-17(8-6-16)24(26,27)28/h1-10,15H,11-14H2,(H,29,31)
InChIKeyUNBFMDOPLSEWEF-UHFFFAOYSA-N
XLogP5.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.95
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 4207677) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UNBFMDOPLSEWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2O4S/c25-21-10-9-18(15-22(21)35(32,33)30-11-13-34-14-12-30)29-23(31)20-4-2-1-3-19(20)16-5-7-17(8-6-16)24(26,27)28/h1-10,15H,11-14H2,(H,29,31).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 524.95 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 4207677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).