N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide

C17H19ClFNO4S — CID 110309069

IUPACN-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide
SMILESCC(O)(CNS(=O)(=O)CCOc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClFNO4S/c1-17(21,13-2-4-14(18)5-3-13)12-20-25(22,23)11-10-24-16-8-6-15(19)7-9-16/h2-9,20-21H,10-12H2,1H3
InChIKeyXYYFCIOLXZWQJF-UHFFFAOYSA-N
MW387.86 g/mol
LogP2.68
Rot. Bonds8

About N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide

N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide (PubChem CID 110309069) has the molecular formula C17H19ClFNO4S and a molecular weight of 387.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide
PubChem CID110309069
Molecular FormulaC17H19ClFNO4S
Molecular Weight387.86 g/mol
Exact Mass387.07
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide
SMILESCC(O)(CNS(=O)(=O)CCOc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClFNO4S/c1-17(21,13-2-4-14(18)5-3-13)12-20-25(22,23)11-10-24-16-8-6-15(19)7-9-16/h2-9,20-21H,10-12H2,1H3
InChIKeyXYYFCIOLXZWQJF-UHFFFAOYSA-N
XLogP2.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.86
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 90518572
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518502
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474
4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 110291434
5-(4-chlorophenoxy)-1-(4-fluorophenoxy)-3,3-dimethylpentan-2-one
CID 13322877
N-[2-(4-aminophenyl)-2-hydroxypropyl]propane-1-sulfonamide
CID 57166423
N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide
CID 110305340
1-(4-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 62795916
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 110291476
2-(4-chlorophenoxy)ethanol;methanesulfonic acid
CID 71365177
N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide
CID 110407155
N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxypropyl]-5,5-dimethylhexane-1-sulfonamide
CID 146352817

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide (CID 110309069) is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide is CC(O)(CNS(=O)(=O)CCOc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide?
The InChIKey is XYYFCIOLXZWQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO4S/c1-17(21,13-2-4-14(18)5-3-13)12-20-25(22,23)11-10-24-16-8-6-15(19)7-9-16/h2-9,20-21H,10-12H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide?
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide has a molecular weight of 387.86 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide is sourced from PubChem (CID 110309069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).