4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide

C17H20FNO3S — CID 35391900

IUPAC4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO3S/c1-13(2)22-12-15-6-4-3-5-14(15)11-19-23(20,21)17-9-7-16(18)8-10-17/h3-10,13,19H,11-12H2,1-2H3
InChIKeySIWLIBGKTMANDH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.23
Rot. Bonds7

About 4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide

4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 35391900) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID35391900
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO3S/c1-13(2)22-12-15-6-4-3-5-14(15)11-19-23(20,21)17-9-7-16(18)8-10-17/h3-10,13,19H,11-12H2,1-2H3
InChIKeySIWLIBGKTMANDH-UHFFFAOYSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide
CID 2836278
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methylbenzenesulfonamide
CID 2877826
N-(3,4-Dihydro-1H-2-benzopyran-1-yl)-4-methylbenzene-1-sulfonamide
CID 12943539
N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide
CID 102525458
3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide
CID 35391890
4-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 35391953
3,5-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide
CID 35392035
1-(4-Fluorophenyl)sulfonyl-3-[(2-methylphenyl)methoxy]piperidine
CID 42844222
(E)-N-(2-(3-fluorophenyl)-2-methoxyethyl)-2-phenylethenesulfonamide
CID 73168430
(5,6,7,8-tetrahydro-2-naphthylsulfonyl)[(R)-2-(o-fluorophenyl)-2-methoxypropyl]amine
CID 97428462
[(R)-2-(m-fluorophenyl)-2-methoxyethyl][p-(trifluoromethyl)phenylsulfonyl]amine
CID 97553529
N-(4-benzyloxy-3,3-diflurobutyl)-p-toluenesulfonamide
CID 13935583

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide (CID 35391900) is 4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide is CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is SIWLIBGKTMANDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-13(2)22-12-15-6-4-3-5-14(15)11-19-23(20,21)17-9-7-16(18)8-10-17/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of 4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide?
4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 35391900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).