4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

C18H19F3N2O3S — CID 169370241

IUPAC4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-13-2-4-17(5-3-13)27(24,25)22-15-10-14(18(19,20)21)11-16(12-15)23-6-8-26-9-7-23/h2-5,10-12,22H,6-9H2,1H3
InChIKeyFGRXJDXCAAJMGN-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.65
Rot. Bonds4

About 4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 169370241) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID169370241
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-13-2-4-17(5-3-13)27(24,25)22-15-10-14(18(19,20)21)11-16(12-15)23-6-8-26-9-7-23/h2-5,10-12,22H,6-9H2,1H3
InChIKeyFGRXJDXCAAJMGN-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-methoxy-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 44548694
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522105
N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 47088928
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 92680117
N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 22220436
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 29099805
4-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7594494
4-[1-(4-methylphenyl)sulfonylpyridin-1-ium-4-yl]morpholine chloride
CID 71340157
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
CID 18197748
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 15990108
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 169370241) is 4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is FGRXJDXCAAJMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-13-2-4-17(5-3-13)27(24,25)22-15-10-14(18(19,20)21)11-16(12-15)23-6-8-26-9-7-23/h2-5,10-12,22H,6-9H2,1H3.
What are the key properties of 4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
4-methyl-N-[3-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-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 169370241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).