N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide

C20H32FN3O3S — CID 59230401

IUPACN-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2cc(F)cc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H32FN3O3S/c1-15(2)28(25,26)23-18-5-3-16(4-6-18)14-22-19-11-17(21)12-20(13-19)24-7-9-27-10-8-24/h11-13,15-16,18,22-23H,3-10,14H2,1-2H3
InChIKeyPDYABPVMZSCCQS-UHFFFAOYSA-N
MW413.56 g/mol
LogP2.96
Rot. Bonds7

About N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 59230401) has the molecular formula C20H32FN3O3S and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID59230401
Molecular FormulaC20H32FN3O3S
Molecular Weight413.56 g/mol
Exact Mass413.21
IUPAC NameN-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2cc(F)cc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H32FN3O3S/c1-15(2)28(25,26)23-18-5-3-16(4-6-18)14-22-19-11-17(21)12-20(13-19)24-7-9-27-10-8-24/h11-13,15-16,18,22-23H,3-10,14H2,1-2H3
InChIKeyPDYABPVMZSCCQS-UHFFFAOYSA-N
XLogP2.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylmethanesulfonamide
CID 89701100
N-(2-methylpropyl)-N-[[4-(oxan-4-ylamino)phenyl]methyl]-1-phenylmethanesulfonamide
CID 89659491
N-(2-methylpropyl)-N-[[4-(oxan-3-ylamino)phenyl]methyl]-1-phenylmethanesulfonamide
CID 89659492
N-[[4-(2-methoxyethylamino)phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89700958
N-[[4-[[(3S,4R)-1-ethyl-3-fluoropiperidin-4-yl]amino]phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89701008
N-(2-methylpropyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 89701128
N-(2-methylpropyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 89701163
N-[[4-[[(3R,4S)-1-ethyl-3-fluoropiperidin-4-yl]amino]phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89701252
N-(1-(2-methoxyethyl)-1,2,3,4-tetrahydroquinolin-7-yl)-2-phenylethanesulfonamide
CID 44026755
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 75447109
N-(3-{4-[(3-fluorobenzyl)amino]-1-piperidinyl}phenyl)ethanesulfonamide
CID 118755314
N-[3-(4-{[2-(2-fluorophenyl)ethyl]amino}-1-piperidinyl)phenyl]ethanesulfonamide
CID 118756828

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide (CID 59230401) is N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(CNc2cc(F)cc(N3CCOCC3)c2)CC1.
What is the InChIKey of N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is PDYABPVMZSCCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3O3S/c1-15(2)28(25,26)23-18-5-3-16(4-6-18)14-22-19-11-17(21)12-20(13-19)24-7-9-27-10-8-24/h11-13,15-16,18,22-23H,3-10,14H2,1-2H3.
What are the key properties of N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 413.56 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 59230401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).