3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

C19H21F3N2O3S — CID 2117079

IUPAC3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1C
InChIInChI=1S/C19H21F3N2O3S/c1-13-3-5-16(11-14(13)2)28(25,26)23-17-12-15(19(20,21)22)4-6-18(17)24-7-9-27-10-8-24/h3-6,11-12,23H,7-10H2,1-2H3
InChIKeyFSKOJOKUSDQOLL-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.96
Rot. Bonds4

About 3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2117079) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2117079
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1C
InChIInChI=1S/C19H21F3N2O3S/c1-13-3-5-16(11-14(13)2)28(25,26)23-17-12-15(19(20,21)22)4-6-18(17)24-7-9-27-10-8-24/h3-6,11-12,23H,7-10H2,1-2H3
InChIKeyFSKOJOKUSDQOLL-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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Related Compounds

4-methyl-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813423
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
2,4-dimethyl-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]benzene-1-sulfonamide
CID 2078255
4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2089202
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
N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide
CID 5205913
3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 7938968
N-(2-(4-(dimethylamino)phenyl)-2-morpholinoethyl)naphthalene-2-sulfonamide
CID 16812485
1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 24687978
2,3,5,6-tetramethyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 2078251

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2117079) is 3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is FSKOJOKUSDQOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-13-3-5-16(11-14(13)2)28(25,26)23-17-12-15(19(20,21)22)4-6-18(17)24-7-9-27-10-8-24/h3-6,11-12,23H,7-10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
3,4-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 3,4-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2117079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).