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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Related Compounds

4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 736064
4-methyl-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813423
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
N-(2-morpholinoethyl)-4-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulfonamide
CID 24894561
2,4-dimethyl-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]benzene-1-sulfonamide
CID 2078255
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 2318822
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide
CID 2472272
4-tert-butyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 3338291
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide
CID 4024925
4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 4969706
N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide
CID 5205913
3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 7938968

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).