4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide

C15H20ClF3N2O3S — CID 7510145

IUPAC4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C15H20ClF3N2O3S/c1-14(2,21-5-7-24-8-6-21)10-20-25(22,23)13-4-3-11(16)9-12(13)15(17,18)19/h3-4,9,20H,5-8,10H2,1-2H3
InChIKeyOKRAWDHXGDTTMX-UHFFFAOYSA-N
MW400.85 g/mol
LogP2.75
Rot. Bonds5

About 4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 7510145) has the molecular formula C15H20ClF3N2O3S and a molecular weight of 400.85 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID7510145
Molecular FormulaC15H20ClF3N2O3S
Molecular Weight400.85 g/mol
Exact Mass400.08
IUPAC Name4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C15H20ClF3N2O3S/c1-14(2,21-5-7-24-8-6-21)10-20-25(22,23)13-4-3-11(16)9-12(13)15(17,18)19/h3-4,9,20H,5-8,10H2,1-2H3
InChIKeyOKRAWDHXGDTTMX-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide (CID 7510145) is 4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide is CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCOCC1.
What is the InChIKey of 4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OKRAWDHXGDTTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2O3S/c1-14(2,21-5-7-24-8-6-21)10-20-25(22,23)13-4-3-11(16)9-12(13)15(17,18)19/h3-4,9,20H,5-8,10H2,1-2H3.
What are the key properties of 4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 400.85 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 7510145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).