N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide

C14H16Cl2FNO4S — CID 167624082

IUPACN-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
SMILESO=C(CNS(=O)(=O)CC1CCOCC1)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C14H16Cl2FNO4S/c15-10-5-11(14(17)12(16)6-10)13(19)7-18-23(20,21)8-9-1-3-22-4-2-9/h5-6,9,18H,1-4,7-8H2
InChIKeyLIZHYWFVNKFIHQ-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide

N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide (PubChem CID 167624082) has the molecular formula C14H16Cl2FNO4S and a molecular weight of 384.26 g/mol. Its IUPAC name is N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
PubChem CID167624082
Molecular FormulaC14H16Cl2FNO4S
Molecular Weight384.26 g/mol
Exact Mass383.02
IUPAC NameN-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
SMILESO=C(CNS(=O)(=O)CC1CCOCC1)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C14H16Cl2FNO4S/c15-10-5-11(14(17)12(16)6-10)13(19)7-18-23(20,21)8-9-1-3-22-4-2-9/h5-6,9,18H,1-4,7-8H2
InChIKeyLIZHYWFVNKFIHQ-UHFFFAOYSA-N
XLogP2.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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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-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide
CID 167570070
3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide
CID 134581051
N-[2-[3-chloro-2-fluoro-5-(4-hydroxybutanoyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide
CID 167592967
1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide
CID 167573284
5-chloro-2-fluoro-3-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396644
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
N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
CID 167671598
1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide
CID 167684328
1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
CID 167556990
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide
CID 134581056

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide (CID 167624082) is N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide is O=C(CNS(=O)(=O)CC1CCOCC1)c1cc(Cl)cc(Cl)c1F.
What is the InChIKey of N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is LIZHYWFVNKFIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2FNO4S/c15-10-5-11(14(17)12(16)6-10)13(19)7-18-23(20,21)8-9-1-3-22-4-2-9/h5-6,9,18H,1-4,7-8H2.
What are the key properties of N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide?
N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 384.26 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 167624082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).