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

C18H18F3NO3S — CID 99589179

IUPACN-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C18H18F3NO3S/c1-12-10-13(19)3-5-17(12)26(23,24)22-18(6-8-25-9-7-18)15-4-2-14(20)11-16(15)21/h2-5,10-11,22H,6-9H2,1H3
InChIKeyPPPJJQZUCLPZJW-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.40
Rot. Bonds4

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

N-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 99589179) 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]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID99589179
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C18H18F3NO3S/c1-12-10-13(19)3-5-17(12)26(23,24)22-18(6-8-25-9-7-18)15-4-2-14(20)11-16(15)21/h2-5,10-11,22H,6-9H2,1H3
InChIKeyPPPJJQZUCLPZJW-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]-2-fluoro-4-methylbenzenesulfonamide
CID 99589170
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
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114293763
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 75393612
(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide
CID 97248230
4-fluoro-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 100690280
2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide
CID 86770880
1-[(4-fluoro-2-methylphenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61124068
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 75393613
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 114951847
4-fluoro-2-methyl-N-[1-(oxan-4-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 146078574

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide (CID 99589179) is N-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NC1(c2ccc(F)cc2F)CCOCC1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is PPPJJQZUCLPZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c1-12-10-13(19)3-5-17(12)26(23,24)22-18(6-8-25-9-7-18)15-4-2-14(20)11-16(15)21/h2-5,10-11,22H,6-9H2,1H3.
What are the key properties of N-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide?
N-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-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]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 99589179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).