4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C18H16ClF3N2O3S2 — CID 55868940

IUPAC4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl)N1CCSCC1
InChIInChI=1S/C18H16ClF3N2O3S2/c19-16-5-4-14(11-15(16)17(25)24-6-8-28-9-7-24)29(26,27)23-13-3-1-2-12(10-13)18(20,21)22/h1-5,10-11,23H,6-9H2
InChIKeyQCVPSELLAOCACY-UHFFFAOYSA-N
MW464.92 g/mol
LogP4.35
Rot. Bonds4

About 4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 55868940) has the molecular formula C18H16ClF3N2O3S2 and a molecular weight of 464.92 g/mol. Its IUPAC name is 4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID55868940
Molecular FormulaC18H16ClF3N2O3S2
Molecular Weight464.92 g/mol
Exact Mass464.02
IUPAC Name4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl)N1CCSCC1
InChIInChI=1S/C18H16ClF3N2O3S2/c19-16-5-4-14(11-15(16)17(25)24-6-8-28-9-7-24)29(26,27)23-13-3-1-2-12(10-13)18(20,21)22/h1-5,10-11,23H,6-9H2
InChIKeyQCVPSELLAOCACY-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.92
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 46536488
N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 30880179
4-[4-(dimethylamino)piperidine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 55644519
4-(4-hydroxypiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 134014786
2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 5203374
2-chloro-N-pentan-2-yl-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 43019696
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
3-(azepane-1-carbonyl)-4-chloro-N-(4-fluorophenyl)benzenesulfonamide
CID 31619015
3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2546755
[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 2646121
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
1-benzoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247827

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 55868940) is 4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is O=C(c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl)N1CCSCC1.
What is the InChIKey of 4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is QCVPSELLAOCACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O3S2/c19-16-5-4-14(11-15(16)17(25)24-6-8-28-9-7-24)29(26,27)23-13-3-1-2-12(10-13)18(20,21)22/h1-5,10-11,23H,6-9H2.
What are the key properties of 4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 464.92 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55868940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).