N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide

C14H17ClFNO5S — CID 167570070

IUPACN-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide
SMILESO=C(CNS(=O)(=O)C1CCOCC1)c1cc(CO)cc(Cl)c1F
InChIInChI=1S/C14H17ClFNO5S/c15-12-6-9(8-18)5-11(14(12)16)13(19)7-17-23(20,21)10-1-3-22-4-2-10/h5-6,10,17-18H,1-4,7-8H2
InChIKeyHGZQMAFKGOKLFK-UHFFFAOYSA-N
MW365.81 g/mol
LogP1.25
Rot. Bonds6

About N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide

N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide (PubChem CID 167570070) has the molecular formula C14H17ClFNO5S and a molecular weight of 365.81 g/mol. Its IUPAC name is N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide
PubChem CID167570070
Molecular FormulaC14H17ClFNO5S
Molecular Weight365.81 g/mol
Exact Mass365.05
IUPAC NameN-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide
SMILESO=C(CNS(=O)(=O)C1CCOCC1)c1cc(CO)cc(Cl)c1F
InChIInChI=1S/C14H17ClFNO5S/c15-12-6-9(8-18)5-11(14(12)16)13(19)7-17-23(20,21)10-1-3-22-4-2-10/h5-6,10,17-18H,1-4,7-8H2
InChIKeyHGZQMAFKGOKLFK-UHFFFAOYSA-N
XLogP1.25
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
CID 167570071
N-[2-[3-chloro-2-fluoro-5-(4-hydroxybutanoyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide
CID 167592967
N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
CID 167671598
N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
CID 167624082
N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide
CID 167555958
1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide
CID 167573284
N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
CID 167659738
N-phenacyloxane-4-sulfonamide
CID 64994557
3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide
CID 134581457
N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide
CID 55031487
2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide
CID 51108792
N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide
CID 62049363

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide?
The IUPAC name of N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide (CID 167570070) is N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide?
The canonical SMILES for N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide is O=C(CNS(=O)(=O)C1CCOCC1)c1cc(CO)cc(Cl)c1F.
What is the InChIKey of N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide?
The InChIKey is HGZQMAFKGOKLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO5S/c15-12-6-9(8-18)5-11(14(12)16)13(19)7-17-23(20,21)10-1-3-22-4-2-10/h5-6,10,17-18H,1-4,7-8H2.
What are the key properties of N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide?
N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide has a molecular weight of 365.81 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide is sourced from PubChem (CID 167570070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).