N-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide

C15H21F2NO3S — CID 131741222

IUPACN-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(c1ccc(F)c(O)c1F)C1CCOC1
InChIInChI=1S/C15H21F2NO3S/c1-15(2,3)22(20)18-13(9-6-7-21-8-9)10-4-5-11(16)14(19)12(10)17/h4-5,9,13,18-19H,6-8H2,1-3H3
InChIKeyOYHSIERSAAJORV-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.80
Rot. Bonds4

About N-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide

N-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide (PubChem CID 131741222) has the molecular formula C15H21F2NO3S and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide
PubChem CID131741222
Molecular FormulaC15H21F2NO3S
Molecular Weight333.40 g/mol
Exact Mass333.12
IUPAC NameN-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(c1ccc(F)c(O)c1F)C1CCOC1
InChIInChI=1S/C15H21F2NO3S/c1-15(2,3)22(20)18-13(9-6-7-21-8-9)10-4-5-11(16)14(19)12(10)17/h4-5,9,13,18-19H,6-8H2,1-3H3
InChIKeyOYHSIERSAAJORV-UHFFFAOYSA-N
XLogP2.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N-[(1S)-1-[2-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 169081097
oxolan-3-yl-(2,3,4-trifluorophenyl)methanol
CID 63893972
N-[(2,3-difluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 65330309
1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 115856559
[(5-chloro-2-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306666
N-[(S)-(5-chloro-2-fluorophenyl)-(4-fluoro-1-hydroxycyclohexyl)methyl]-2-methylpropane-2-sulfinamide
CID 121281121
2-[(R)-amino(oxan-4-yl)methyl]-3,6-difluorophenol
CID 171256503
N-[(2,6-difluoro-3-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 82822964
2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide
CID 138706841
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
N-[(3-chloro-2-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 64713292
(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
CID 115798171

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide (CID 131741222) is N-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(c1ccc(F)c(O)c1F)C1CCOC1.
What is the InChIKey of N-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is OYHSIERSAAJORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3S/c1-15(2,3)22(20)18-13(9-6-7-21-8-9)10-4-5-11(16)14(19)12(10)17/h4-5,9,13,18-19H,6-8H2,1-3H3.
What are the key properties of N-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide?
N-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 333.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluoro-3-hydroxyphenyl)-(oxolan-3-yl)methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 131741222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).