N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide

C16H23F3N2O3S — CID 51330960

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC1CN(CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C16H23F3N2O3S/c1-12-10-21(11-13(2)24-12)8-4-7-20-25(22,23)15-6-3-5-14(9-15)16(17,18)19/h3,5-6,9,12-13,20H,4,7-8,10-11H2,1-2H3
InChIKeyWATPRZADOBZQRX-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.48
Rot. Bonds6

About N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide

N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 51330960) has the molecular formula C16H23F3N2O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID51330960
Molecular FormulaC16H23F3N2O3S
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC1CN(CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C16H23F3N2O3S/c1-12-10-21(11-13(2)24-12)8-4-7-20-25(22,23)15-6-3-5-14(9-15)16(17,18)19/h3,5-6,9,12-13,20H,4,7-8,10-11H2,1-2H3
InChIKeyWATPRZADOBZQRX-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethyl-4-{[3-(trifluoromethyl)phenyl]sulfonyl}morpholine
CID 2818577
1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
4-(4-Fluoro-3-methylphenyl)sulfonylmorpholine
CID 977826
3,4-dimethyl-N-(2-morpholinoethyl)benzenesulfonamide
CID 646290
3,4-dimethyl-N-[3-(4-morpholinyl)propyl]benzenesulfonamide
CID 2273146
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 17154096
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 44526974
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 2480420
2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2098658
N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 4540124
2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 16242498
HEA derivative, 7c
CID 57340058

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide (CID 51330960) is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide is CC1CN(CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC(C)O1.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WATPRZADOBZQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3S/c1-12-10-21(11-13(2)24-12)8-4-7-20-25(22,23)15-6-3-5-14(9-15)16(17,18)19/h3,5-6,9,12-13,20H,4,7-8,10-11H2,1-2H3.
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 51330960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).