N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide

C18H28FN3O4S2 — CID 59229921

IUPACN-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(CNc2cc(F)cc(N3CCCS3(=O)=O)c2)CC1
InChIInChI=1S/C18H28FN3O4S2/c1-2-27(23,24)21-16-6-4-14(5-7-16)13-20-17-10-15(19)11-18(12-17)22-8-3-9-28(22,25)26/h10-12,14,16,20-21H,2-9,13H2,1H3
InChIKeyBYSRQHMAYVAFAA-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.28
Rot. Bonds7

About N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide

N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide (PubChem CID 59229921) has the molecular formula C18H28FN3O4S2 and a molecular weight of 433.57 g/mol. Its IUPAC name is N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide
PubChem CID59229921
Molecular FormulaC18H28FN3O4S2
Molecular Weight433.57 g/mol
Exact Mass433.15
IUPAC NameN-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(CNc2cc(F)cc(N3CCCS3(=O)=O)c2)CC1
InChIInChI=1S/C18H28FN3O4S2/c1-2-27(23,24)21-16-6-4-14(5-7-16)13-20-17-10-15(19)11-18(12-17)22-8-3-9-28(22,25)26/h10-12,14,16,20-21H,2-9,13H2,1H3
InChIKeyBYSRQHMAYVAFAA-UHFFFAOYSA-N
XLogP2.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide with MolForge

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Related Compounds

N-[4-[[(2,2,7-trifluoro-1,3-benzodioxol-5-yl)amino]methyl]cyclohexyl]ethanesulfonamide
CID 59231180
N-[4-[[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoroanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59231152
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655289
N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 39776404
3-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-5-fluoro-N,N-dimethylbenzamide
CID 59231268
N-[4-[[3,5-difluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide;4-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2,6-difluoro-N,N-dimethylbenzamide;5-[[4-(ethylsulfonylamino)cyclohexyl]methylamino]-2-fluoro-N,N-dimethylbenzamide;N-[4-[[4-fluoro-3-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]ethanesulfonamide
CID 161009635
4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclohexane-1-carboxamide
CID 20629923
N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline
CID 59230383
N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline
CID 104574770
2-methyl-N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]butane-2-sulfonamide
CID 70939620
N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939329
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline
CID 110621354

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide?
The IUPAC name of N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide (CID 59229921) is N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide is CCS(=O)(=O)NC1CCC(CNc2cc(F)cc(N3CCCS3(=O)=O)c2)CC1.
What is the InChIKey of N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide?
The InChIKey is BYSRQHMAYVAFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O4S2/c1-2-27(23,24)21-16-6-4-14(5-7-16)13-20-17-10-15(19)11-18(12-17)22-8-3-9-28(22,25)26/h10-12,14,16,20-21H,2-9,13H2,1H3.
What are the key properties of N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide?
N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide has a molecular weight of 433.57 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluoroanilino]methyl]cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 59229921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).