3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide

C17H20FNO5S — CID 30387494

IUPAC3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide
SMILESCOc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C17H20FNO5S/c1-12(11-24-14-6-4-13(22-2)5-7-14)19-25(20,21)15-8-9-17(23-3)16(18)10-15/h4-10,12,19H,11H2,1-3H3/t12-/m0/s1
InChIKeyPDOLHCNLJZJCRX-LBPRGKRZSA-N
MW369.41 g/mol
LogP2.59
Rot. Bonds8

About 3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide

3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide (PubChem CID 30387494) has the molecular formula C17H20FNO5S and a molecular weight of 369.41 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide
PubChem CID30387494
Molecular FormulaC17H20FNO5S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide
SMILESCOc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C17H20FNO5S/c1-12(11-24-14-6-4-13(22-2)5-7-14)19-25(20,21)15-8-9-17(23-3)16(18)10-15/h4-10,12,19H,11H2,1-3H3/t12-/m0/s1
InChIKeyPDOLHCNLJZJCRX-LBPRGKRZSA-N
XLogP2.59
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide
CID 100693581
3-fluoro-N-heptan-2-yl-4-methoxybenzenesulfonamide
CID 42960424
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 100759720
N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133199500
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 124886214
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100611701
(3-fluoro-4-methoxyphenyl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843363

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide (CID 30387494) is 3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide is COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide?
The InChIKey is PDOLHCNLJZJCRX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20FNO5S/c1-12(11-24-14-6-4-13(22-2)5-7-14)19-25(20,21)15-8-9-17(23-3)16(18)10-15/h4-10,12,19H,11H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide has a molecular weight of 369.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 30387494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).