N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide

C15H21F3N2O3S — CID 167801726

IUPACN-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(c1ccc(S(=O)(=O)NCC2COCCN2)cc1)C(F)(F)F
InChIInChI=1S/C15H21F3N2O3S/c1-14(2,15(16,17)18)11-3-5-13(6-4-11)24(21,22)20-9-12-10-23-8-7-19-12/h3-6,12,19-20H,7-10H2,1-2H3
InChIKeyHCLDYKMYVTULDM-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.79
Rot. Bonds5

About N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide

N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 167801726) has the molecular formula C15H21F3N2O3S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID167801726
Molecular FormulaC15H21F3N2O3S
Molecular Weight366.41 g/mol
Exact Mass366.12
IUPAC NameN-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(c1ccc(S(=O)(=O)NCC2COCCN2)cc1)C(F)(F)F
InChIInChI=1S/C15H21F3N2O3S/c1-14(2,15(16,17)18)11-3-5-13(6-4-11)24(21,22)20-9-12-10-23-8-7-19-12/h3-6,12,19-20H,7-10H2,1-2H3
InChIKeyHCLDYKMYVTULDM-UHFFFAOYSA-N
XLogP1.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide (CID 167801726) is N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide is CC(C)(c1ccc(S(=O)(=O)NCC2COCCN2)cc1)C(F)(F)F.
What is the InChIKey of N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is HCLDYKMYVTULDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3S/c1-14(2,15(16,17)18)11-3-5-13(6-4-11)24(21,22)20-9-12-10-23-8-7-19-12/h3-6,12,19-20H,7-10H2,1-2H3.
What are the key properties of N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide?
N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 167801726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).