N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide

C18H18F3NO3S — CID 99589170

IUPACN-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(c3ccc(F)cc3F)CCOCC2)c(F)c1
InChIInChI=1S/C18H18F3NO3S/c1-12-2-5-17(16(21)10-12)26(23,24)22-18(6-8-25-9-7-18)14-4-3-13(19)11-15(14)20/h2-5,10-11,22H,6-9H2,1H3
InChIKeyUODMSCPQMIPZDB-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.40
Rot. Bonds4

About N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide

N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide (PubChem CID 99589170) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide
PubChem CID99589170
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(c3ccc(F)cc3F)CCOCC2)c(F)c1
InChIInChI=1S/C18H18F3NO3S/c1-12-2-5-17(16(21)10-12)26(23,24)22-18(6-8-25-9-7-18)14-4-3-13(19)11-15(14)20/h2-5,10-11,22H,6-9H2,1H3
InChIKeyUODMSCPQMIPZDB-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 99589179
N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide
CID 99589250
N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide
CID 136534009
2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902822
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 75393612
2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide
CID 86770880
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 75393613
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
1-(2,4-difluorophenyl)-N-methylcyclopropan-1-amine
CID 83684038
2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110875681
N-ethyl-2-fluoro-4-methylbenzenesulfonamide
CID 130158865
2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide
CID 91772450

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide (CID 99589170) is N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2(c3ccc(F)cc3F)CCOCC2)c(F)c1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide?
The InChIKey is UODMSCPQMIPZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c1-12-2-5-17(16(21)10-12)26(23,24)22-18(6-8-25-9-7-18)14-4-3-13(19)11-15(14)20/h2-5,10-11,22H,6-9H2,1H3.
What are the key properties of N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide?
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide has a molecular weight of 385.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 99589170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).