N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide

C20H21F3N2O4S — CID 30825076

IUPACN-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1
InChIInChI=1S/C20H21F3N2O4S/c1-13-11-25(12-14(2)29-13)19(26)17-8-3-4-9-18(17)24-30(27,28)16-7-5-6-15(10-16)20(21,22)23/h3-10,13-14,24H,11-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyFHHOTDULSLQPJB-KBPBESRZSA-N
MW442.46 g/mol
LogP3.76
Rot. Bonds4

About N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 30825076) has the molecular formula C20H21F3N2O4S and a molecular weight of 442.46 g/mol. Its IUPAC name is N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID30825076
Molecular FormulaC20H21F3N2O4S
Molecular Weight442.46 g/mol
Exact Mass442.12
IUPAC NameN-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1
InChIInChI=1S/C20H21F3N2O4S/c1-13-11-25(12-14(2)29-13)19(26)17-8-3-4-9-18(17)24-30(27,28)16-7-5-6-15(10-16)20(21,22)23/h3-10,13-14,24H,11-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyFHHOTDULSLQPJB-KBPBESRZSA-N
XLogP3.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylmorpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24666353
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 24663333
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide
CID 2325867
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 25331426
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate
CID 32651205
4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663361
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
4-butan-2-yl-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663349
3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid
CID 24663379

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 30825076) is N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide is C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FHHOTDULSLQPJB-KBPBESRZSA-N. The full InChI is InChI=1S/C20H21F3N2O4S/c1-13-11-25(12-14(2)29-13)19(26)17-8-3-4-9-18(17)24-30(27,28)16-7-5-6-15(10-16)20(21,22)23/h3-10,13-14,24H,11-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 442.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 30825076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).