N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide

C24H31F3N2O4S — CID 23446712

IUPACN-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(c1ccc(OCCCCCCN2CCOCC2)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H31F3N2O4S/c1-28(34(30,31)23-12-6-20(7-13-23)24(25,26)27)21-8-10-22(11-9-21)33-17-5-3-2-4-14-29-15-18-32-19-16-29/h6-13H,2-5,14-19H2,1H3
InChIKeyFTHCPPBLTZYGKX-UHFFFAOYSA-N
MW500.58 g/mol
LogP4.80
Rot. Bonds11

About N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide

N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 23446712) has the molecular formula C24H31F3N2O4S and a molecular weight of 500.58 g/mol. Its IUPAC name is N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID23446712
Molecular FormulaC24H31F3N2O4S
Molecular Weight500.58 g/mol
Exact Mass500.20
IUPAC NameN-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(c1ccc(OCCCCCCN2CCOCC2)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H31F3N2O4S/c1-28(34(30,31)23-12-6-20(7-13-23)24(25,26)27)21-8-10-22(11-9-21)33-17-5-3-2-4-14-29-15-18-32-19-16-29/h6-13H,2-5,14-19H2,1H3
InChIKeyFTHCPPBLTZYGKX-UHFFFAOYSA-N
XLogP4.80
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[6-(4-hydroxypiperidin-1-yl)hexoxy]phenyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 23446484
N-[4-[6-[4-(hydroxymethyl)piperidin-1-yl]hexoxy]phenyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 23446504
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4130735
N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 23446661
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 25014776
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 92649125
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 17247264
N,4-dimethyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzenesulfonamide
CID 1190688
2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-2-[4-(2-morpholin-4-ylethoxy)phenyl]propanoic acid
CID 70037898
N-(4-acetylphenyl)-N-[(4-methoxyphenyl)methyl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide
CID 58896323
1-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46889204

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 23446712) is N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide is CN(c1ccc(OCCCCCCN2CCOCC2)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FTHCPPBLTZYGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N2O4S/c1-28(34(30,31)23-12-6-20(7-13-23)24(25,26)27)21-8-10-22(11-9-21)33-17-5-3-2-4-14-29-15-18-32-19-16-29/h6-13H,2-5,14-19H2,1H3.
What are the key properties of N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 500.58 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(6-morpholin-4-ylhexoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23446712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).