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

C18H16ClF3N2O4S — CID 26412442

IUPAC4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H16ClF3N2O4S/c19-15-6-1-12(11-16(15)29(26,27)24-7-9-28-10-8-24)17(25)23-14-4-2-13(3-5-14)18(20,21)22/h1-6,11H,7-10H2,(H,23,25)
InChIKeyBSXHHLIUPTWCNW-UHFFFAOYSA-N
MW448.85 g/mol
LogP3.63
Rot. Bonds4

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

4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 26412442) has the molecular formula C18H16ClF3N2O4S and a molecular weight of 448.85 g/mol. Its IUPAC name is 4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID26412442
Molecular FormulaC18H16ClF3N2O4S
Molecular Weight448.85 g/mol
Exact Mass448.05
IUPAC Name4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H16ClF3N2O4S/c19-15-6-1-12(11-16(15)29(26,27)24-7-9-28-10-8-24)17(25)23-14-4-2-13(3-5-14)18(20,21)22/h1-6,11H,7-10H2,(H,23,25)
InChIKeyBSXHHLIUPTWCNW-UHFFFAOYSA-N
XLogP3.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide 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

4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 24637915
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
4-chloro-N-[4-(difluoromethoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 26894892
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 7920749
N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 26070595
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892289

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide (CID 26412442) is 4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BSXHHLIUPTWCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O4S/c19-15-6-1-12(11-16(15)29(26,27)24-7-9-28-10-8-24)17(25)23-14-4-2-13(3-5-14)18(20,21)22/h1-6,11H,7-10H2,(H,23,25).
What are the key properties of 4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 448.85 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26412442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).