5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

C15H22FNO4S — CID 91915442

IUPAC5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1cc(F)ccc1OC
InChIInChI=1S/C15H22FNO4S/c1-3-7-17(10-12-6-8-21-11-12)22(18,19)15-9-13(16)4-5-14(15)20-2/h4-5,9,12H,3,6-8,10-11H2,1-2H3
InChIKeyYTVCNFYRXSJSLC-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.27
Rot. Bonds7

About 5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (PubChem CID 91915442) has the molecular formula C15H22FNO4S and a molecular weight of 331.41 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
PubChem CID91915442
Molecular FormulaC15H22FNO4S
Molecular Weight331.41 g/mol
Exact Mass331.13
IUPAC Name5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1cc(F)ccc1OC
InChIInChI=1S/C15H22FNO4S/c1-3-7-17(10-12-6-8-21-11-12)22(18,19)15-9-13(16)4-5-14(15)20-2/h4-5,9,12H,3,6-8,10-11H2,1-2H3
InChIKeyYTVCNFYRXSJSLC-UHFFFAOYSA-N
XLogP2.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905709
3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905715
3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915434
4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905703
2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 102554956
5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 110875822
N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697628
1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide
CID 99767674
N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697483
1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide
CID 95142044
5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide
CID 62104424
3-amino-N-ethyl-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343328

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (CID 91915442) is 5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1cc(F)ccc1OC.
What is the InChIKey of 5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is YTVCNFYRXSJSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4S/c1-3-7-17(10-12-6-8-21-11-12)22(18,19)15-9-13(16)4-5-14(15)20-2/h4-5,9,12H,3,6-8,10-11H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 331.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 91915442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).