N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide

C23H37F3N2O4S — CID 22294222

IUPACN-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)CN(CCC1CCC(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)CC(C)O
InChIInChI=1S/C23H37F3N2O4S/c1-17(29)14-28(15-18(2)30)13-12-19-4-6-20(7-5-19)16-27(3)33(31,32)22-10-8-21(9-11-22)23(24,25)26/h8-11,17-20,29-30H,4-7,12-16H2,1-3H3
InChIKeyNJELIHYYBUXRNI-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.59
Rot. Bonds11

About N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide

N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 22294222) has the molecular formula C23H37F3N2O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID22294222
Molecular FormulaC23H37F3N2O4S
Molecular Weight494.62 g/mol
Exact Mass494.24
IUPAC NameN-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(O)CN(CCC1CCC(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)CC(C)O
InChIInChI=1S/C23H37F3N2O4S/c1-17(29)14-28(15-18(2)30)13-12-19-4-6-20(7-5-19)16-27(3)33(31,32)22-10-8-21(9-11-22)23(24,25)26/h8-11,17-20,29-30H,4-7,12-16H2,1-3H3
InChIKeyNJELIHYYBUXRNI-UHFFFAOYSA-N
XLogP3.59
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

3-[4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]cyclohexyl]propyl methanesulfonate
CID 87996274
N-methyl-N-[[4-[[methyl(prop-2-enyl)amino]methyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 22310802
4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid
CID 60952032
N-[4-[3-[bis(2-hydroxyethyl)amino]propyl]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 22567827
4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 54884270
N-[4-[5-[2-hydroxyethyl(methyl)amino]pentyl]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 71456888
N-(cyclopropylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 60985675
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 115319055
N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95748590
N-[4-(3-bromopropoxymethyl)cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 22567686
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 59710562

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide (CID 22294222) is N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide is CC(O)CN(CCC1CCC(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)CC(C)O.
What is the InChIKey of N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NJELIHYYBUXRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37F3N2O4S/c1-17(29)14-28(15-18(2)30)13-12-19-4-6-20(7-5-19)16-27(3)33(31,32)22-10-8-21(9-11-22)23(24,25)26/h8-11,17-20,29-30H,4-7,12-16H2,1-3H3.
What are the key properties of N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide?
N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 494.62 g/mol, XLogP of 3.59, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 22294222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).