N,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen

C18H25F4N3O3S2 — CID 142330078

IUPACN,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen
SMILESCN(C)C1CCCCC1.O=S(=O)(Nc1nccs1)c1cc(C(F)(F)F)c(O)cc1F.[H][H]
InChIInChI=1S/C10H6F4N2O3S2.C8H17N.H2/c11-6-4-7(17)5(10(12,13)14)3-8(6)21(18,19)16-9-15-1-2-20-9;1-9(2)8-6-4-3-5-7-8;/h1-4,17H,(H,15,16);8H,3-7H2,1-2H3;1H
InChIKeyOTOCUKVPPHSKRM-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.93
Rot. Bonds4

About N,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen

N,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen (PubChem CID 142330078) has the molecular formula C18H25F4N3O3S2 and a molecular weight of 471.54 g/mol. Its IUPAC name is N,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen
PubChem CID142330078
Molecular FormulaC18H25F4N3O3S2
Molecular Weight471.54 g/mol
Exact Mass471.13
IUPAC NameN,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen
SMILESCN(C)C1CCCCC1.O=S(=O)(Nc1nccs1)c1cc(C(F)(F)F)c(O)cc1F.[H][H]
InChIInChI=1S/C10H6F4N2O3S2.C8H17N.H2/c11-6-4-7(17)5(10(12,13)14)3-8(6)21(18,19)16-9-15-1-2-20-9;1-9(2)8-6-4-3-5-7-8;/h1-4,17H,(H,15,16);8H,3-7H2,1-2H3;1H
InChIKeyOTOCUKVPPHSKRM-UHFFFAOYSA-N
XLogP4.93
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134438256
5-chloro-4-[[(1S,2S)-2-(dimethylamino)cycloheptyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;formic acid
CID 146472142
5-chloro-2-fluoro-4-[[(2S)-2-(methylamino)cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134458839
5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-fluorocyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134429841
benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen
CID 145285646
4-[cyclopentyl-(5-methyl-1H-pyrazol-3-yl)amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 91201767
5-bromo-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134438274
4-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,5-difluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 177005564
5-chloro-2-fluoro-4-[[(2S)-2-[2-hydroxypropyl(methyl)amino]cyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134459172
5-chloro-4-[[(1R,3R,4R,6S)-4-(dimethylamino)-7,7-difluoro-3-bicyclo[4.1.0]heptanyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134429675
3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488150
5-chloro-2-fluoro-4-[(4-iminocyclohexyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 163678723

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen?
The IUPAC name of N,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen (CID 142330078) is N,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for N,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen?
The canonical SMILES for N,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen is CN(C)C1CCCCC1.O=S(=O)(Nc1nccs1)c1cc(C(F)(F)F)c(O)cc1F.[H][H].
What is the InChIKey of N,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen?
The InChIKey is OTOCUKVPPHSKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2O3S2.C8H17N.H2/c11-6-4-7(17)5(10(12,13)14)3-8(6)21(18,19)16-9-15-1-2-20-9;1-9(2)8-6-4-3-5-7-8;/h1-4,17H,(H,15,16);8H,3-7H2,1-2H3;1H.
What are the key properties of N,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen?
N,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen has a molecular weight of 471.54 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohexanamine;2-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 142330078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).