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

C18H19F3N2O3S — CID 2089202

IUPAC4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-13-2-5-15(6-3-13)27(24,25)22-16-12-14(18(19,20)21)4-7-17(16)23-8-10-26-11-9-23/h2-7,12,22H,8-11H2,1H3
InChIKeyUGXMRHYFJVDJAK-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.65
Rot. Bonds4

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

4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2089202) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2089202
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-13-2-5-15(6-3-13)27(24,25)22-16-12-14(18(19,20)21)4-7-17(16)23-8-10-26-11-9-23/h2-7,12,22H,8-11H2,1H3
InChIKeyUGXMRHYFJVDJAK-UHFFFAOYSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2089202) is 4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is UGXMRHYFJVDJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-13-2-5-15(6-3-13)27(24,25)22-16-12-14(18(19,20)21)4-7-17(16)23-8-10-26-11-9-23/h2-7,12,22H,8-11H2,1H3.
What are the key properties of 4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 400.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2089202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).