4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide

C14H20FNO5S — CID 56765211

IUPAC4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2(O)CCOCC2)cc1F
InChIInChI=1S/C14H20FNO5S/c1-2-21-13-4-3-11(9-12(13)15)22(18,19)16-10-14(17)5-7-20-8-6-14/h3-4,9,16-17H,2,5-8,10H2,1H3
InChIKeyLQSFXPWZSFXBRD-UHFFFAOYSA-N
MW333.38 g/mol
LogP1.04
Rot. Bonds6

About 4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide

4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide (PubChem CID 56765211) has the molecular formula C14H20FNO5S and a molecular weight of 333.38 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide
PubChem CID56765211
Molecular FormulaC14H20FNO5S
Molecular Weight333.38 g/mol
Exact Mass333.10
IUPAC Name4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2(O)CCOCC2)cc1F
InChIInChI=1S/C14H20FNO5S/c1-2-21-13-4-3-11(9-12(13)15)22(18,19)16-10-14(17)5-7-20-8-6-14/h3-4,9,16-17H,2,5-8,10H2,1H3
InChIKeyLQSFXPWZSFXBRD-UHFFFAOYSA-N
XLogP1.04
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide
CID 103834264
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103848081
4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890649
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 106100368
4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110758038
N-[(4-hydroxyoxan-4-yl)methyl]-3-nitrobenzenesulfonamide
CID 81133465
4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 110758068
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 103848152
4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide
CID 110758104
4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27451467
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-[(2-fluoro-4-methylphenoxy)methyl]oxan-4-ol
CID 90208688

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide (CID 56765211) is 4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC2(O)CCOCC2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is LQSFXPWZSFXBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO5S/c1-2-21-13-4-3-11(9-12(13)15)22(18,19)16-10-14(17)5-7-20-8-6-14/h3-4,9,16-17H,2,5-8,10H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide?
4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 333.38 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 56765211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).