N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide

C24H33FN2O4S2 — CID 10300412

IUPACN-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1CCCC[C@]1(F)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H33FN2O4S2/c1-18(2)33(30,31)27-23-6-4-5-16-24(23,25)22-13-11-21(12-14-22)20-9-7-19(8-10-20)15-17-26-32(3,28)29/h7-14,18,23,26-27H,4-6,15-17H2,1-3H3/t23-,24-/m0/s1
InChIKeyXIJQLTPCECSBMM-ZEQRLZLVSA-N
MW496.67 g/mol
LogP3.88
Rot. Bonds9

About N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide

N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 10300412) has the molecular formula C24H33FN2O4S2 and a molecular weight of 496.67 g/mol. Its IUPAC name is N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide
PubChem CID10300412
Molecular FormulaC24H33FN2O4S2
Molecular Weight496.67 g/mol
Exact Mass496.19
IUPAC NameN-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1CCCC[C@]1(F)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H33FN2O4S2/c1-18(2)33(30,31)27-23-6-4-5-16-24(23,25)22-13-11-21(12-14-22)20-9-7-19(8-10-20)15-17-26-32(3,28)29/h7-14,18,23,26-27H,4-6,15-17H2,1-3H3/t23-,24-/m0/s1
InChIKeyXIJQLTPCECSBMM-ZEQRLZLVSA-N
XLogP3.88
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.67
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide with MolForge

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Related Compounds

N-[(1S,2S)-2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclohexyl]propane-2-sulfonamide
CID 10225027
N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide
CID 22476564
N-[(1S,2R)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide;N-[(1S,2S)-2-fluoro-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide
CID 159569007
N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide
CID 10225880
N-[(1S,2R)-2-[4-[(3,5-difluorophenyl)methoxy]phenyl]-2-fluorocyclohexyl]propane-2-sulfonamide;N-[(1S,2S)-2-[4-[(3,5-difluorophenyl)methoxy]phenyl]-2-fluorocyclohexyl]propane-2-sulfonamide
CID 159194917
N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide
CID 110790782
N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811
N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide
CID 22476563
N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18714009
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
CID 110291803
N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide
CID 18713899
N-[2-[(6S)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]methanesulfonamide
CID 58109744

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide (CID 10300412) is N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1CCCC[C@]1(F)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is XIJQLTPCECSBMM-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H33FN2O4S2/c1-18(2)33(30,31)27-23-6-4-5-16-24(23,25)22-13-11-21(12-14-22)20-9-7-19(8-10-20)15-17-26-32(3,28)29/h7-14,18,23,26-27H,4-6,15-17H2,1-3H3/t23-,24-/m0/s1.
What are the key properties of N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide?
N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 496.67 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-fluoro-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 10300412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).