2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

C19H21F3N2O3S — CID 2078255

IUPAC2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C19H21F3N2O3S/c1-13-3-6-18(14(2)11-13)28(25,26)23-16-12-15(19(20,21)22)4-5-17(16)24-7-9-27-10-8-24/h3-6,11-12,23H,7-10H2,1-2H3
InChIKeyHREPGCYZUDQWFS-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.96
Rot. Bonds4

About 2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2078255) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2078255
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C19H21F3N2O3S/c1-13-3-6-18(14(2)11-13)28(25,26)23-16-12-15(19(20,21)22)4-5-17(16)24-7-9-27-10-8-24/h3-6,11-12,23H,7-10H2,1-2H3
InChIKeyHREPGCYZUDQWFS-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2078255) is 2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is HREPGCYZUDQWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-13-3-6-18(14(2)11-13)28(25,26)23-16-12-15(19(20,21)22)4-5-17(16)24-7-9-27-10-8-24/h3-6,11-12,23H,7-10H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 414.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2078255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).