3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide

C13H18FNO4S — CID 2969472

IUPAC3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCC2CCCO2)ccc1F
InChIInChI=1S/C13H18FNO4S/c1-2-18-13-8-11(5-6-12(13)14)20(16,17)15-9-10-4-3-7-19-10/h5-6,8,10,15H,2-4,7,9H2,1H3
InChIKeyVQBSITSJLDLBIJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.68
Rot. Bonds6

About 3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide

3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 2969472) has the molecular formula C13H18FNO4S and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID2969472
Molecular FormulaC13H18FNO4S
Molecular Weight303.36 g/mol
Exact Mass303.09
IUPAC Name3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCC2CCCO2)ccc1F
InChIInChI=1S/C13H18FNO4S/c1-2-18-13-8-11(5-6-12(13)14)20(16,17)15-9-10-4-3-7-19-10/h5-6,8,10,15H,2-4,7,9H2,1H3
InChIKeyVQBSITSJLDLBIJ-UHFFFAOYSA-N
XLogP1.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
N-ethyl-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 1811202
2,5-Dimethoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 2868443
(2-Methoxy-isopropyl)[(4-methoxyphenyl)sulfonyl]amine
CID 2904487
3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide
CID 850124
N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide
CID 850125
4-(3-Ethoxy-4-fluorophenyl)sulfonylmorpholine
CID 934719
N-cyclopentyl-5-fluoro-2-methoxybenzenesulfonamide
CID 935192
1-[(3-Ethoxy-4-fluorophenyl)sulfonyl]azepane
CID 935230
N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide
CID 935316
N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide
CID 935461
4-bromo-3-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 2967761

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 2969472) is 3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide is CCOc1cc(S(=O)(=O)NCC2CCCO2)ccc1F.
What is the InChIKey of 3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is VQBSITSJLDLBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-2-18-13-8-11(5-6-12(13)14)20(16,17)15-9-10-4-3-7-19-10/h5-6,8,10,15H,2-4,7,9H2,1H3.
What are the key properties of 3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 303.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2969472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).