N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide

C22H32F3N3O4S — CID 11648864

IUPACN-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCN1CCN(C(=O)CCOC2CCC(N(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H32F3N3O4S/c1-26-12-14-28(15-13-26)21(29)11-16-32-19-7-5-18(6-8-19)27(2)33(30,31)20-9-3-17(4-10-20)22(23,24)25/h3-4,9-10,18-19H,5-8,11-16H2,1-2H3
InChIKeyHIVNUWQVBQCKHI-UHFFFAOYSA-N
MW491.58 g/mol
LogP2.82
Rot. Bonds7

About N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide

N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 11648864) has the molecular formula C22H32F3N3O4S and a molecular weight of 491.58 g/mol. Its IUPAC name is N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID11648864
Molecular FormulaC22H32F3N3O4S
Molecular Weight491.58 g/mol
Exact Mass491.21
IUPAC NameN-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCN1CCN(C(=O)CCOC2CCC(N(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H32F3N3O4S/c1-26-12-14-28(15-13-26)21(29)11-16-32-19-7-5-18(6-8-19)27(2)33(30,31)20-9-3-17(4-10-20)22(23,24)25/h3-4,9-10,18-19H,5-8,11-16H2,1-2H3
InChIKeyHIVNUWQVBQCKHI-UHFFFAOYSA-N
XLogP2.82
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.58
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

N-(Oxan-4-YL)-N-{1-[4-(trifluoromethyl)benzenesulfonyl]piperidin-4-YL}propanamide
CID 91906133
N-[1-(4-Ethylbenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906128
trans-N-(3-hydroxy-propyl)-N-methyl-3-{4-[methyl-(4-trifluoromethyl-benzenesulfonyl)-amino]-cyclohexyloxy}-propionamide
CID 11225387
trans-N-{4-[3-(4-hydroxy-piperidin-1-yl)-3-oxo-propoxy]-cyclohexyl}-N-methyl-4-trifluoromethyl-benzenesulfonamide
CID 11294814
trans-N-(2-dimethylamino-ethyl)-N-methyl-3-{4-[methyl-(4-trifluoromethyl-benzenesulfonyl)-amino]-cyclohexyloxy}-propionamide
CID 11317890
N-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropoxy]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 11375587
trans-3-{4-[Methyl-(4-trifluoromethyl-benzenesulfonyl)-amino]-cyclohexyloxy}-propionic acid methyl ester
CID 11531916
N-methyl-N-[4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
CID 20760569
N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
CID 22280843
N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
CID 22280847
N-(3-hydroxypropyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
CID 22280856
N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
CID 22280858

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide (CID 11648864) is N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide is CN1CCN(C(=O)CCOC2CCC(N(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HIVNUWQVBQCKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3N3O4S/c1-26-12-14-28(15-13-26)21(29)11-16-32-19-7-5-18(6-8-19)27(2)33(30,31)20-9-3-17(4-10-20)22(23,24)25/h3-4,9-10,18-19H,5-8,11-16H2,1-2H3.
What are the key properties of N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 491.58 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11648864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).