4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide

C13H18FNO3S — CID 35611817

IUPAC4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N[C@H](C)[C@@H]1CCCO1
InChIInChI=1S/C13H18FNO3S/c1-9-8-11(14)5-6-13(9)19(16,17)15-10(2)12-4-3-7-18-12/h5-6,8,10,12,15H,3-4,7H2,1-2H3/t10-,12+/m1/s1
InChIKeyWHLBEIHQGDJRRC-PWSUYJOCSA-N
MW287.36 g/mol
LogP1.98
Rot. Bonds4

About 4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide

4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide (PubChem CID 35611817) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide
PubChem CID35611817
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N[C@H](C)[C@@H]1CCCO1
InChIInChI=1S/C13H18FNO3S/c1-9-8-11(14)5-6-13(9)19(16,17)15-10(2)12-4-3-7-18-12/h5-6,8,10,12,15H,3-4,7H2,1-2H3/t10-,12+/m1/s1
InChIKeyWHLBEIHQGDJRRC-PWSUYJOCSA-N
XLogP1.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Isobutyl-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 2943101
2-methyl-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 11839503
4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3113401
4-tert-butyl-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 3869755
2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 4433026
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 2998541
3-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3686380
N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 22201343
3,4-difluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 22201362
3,5-difluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 42955265
5-fluoro-N-[trans-4-methoxytetrahydro-2H-pyran-3-yl]-2-methylbenzenesulfonamide
CID 91797879
2,4,6-trimethyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
CID 2842655

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide (CID 35611817) is 4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)[C@@H]1CCCO1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide?
The InChIKey is WHLBEIHQGDJRRC-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-9-8-11(14)5-6-13(9)19(16,17)15-10(2)12-4-3-7-18-12/h5-6,8,10,12,15H,3-4,7H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of 4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 35611817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).