3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide

C19H23FN2O4S — CID 30851081

IUPAC3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1F
InChIInChI=1S/C19H23FN2O4S/c1-25-18-8-7-16(13-17(18)20)27(23,24)21-9-10-22-11-12-26-19(14-22)15-5-3-2-4-6-15/h2-8,13,19,21H,9-12,14H2,1H3/t19-/m0/s1
InChIKeyDKSUXCKAQWQFHO-IBGZPJMESA-N
MW394.47 g/mol
LogP2.19
Rot. Bonds7

About 3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide

3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide (PubChem CID 30851081) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
PubChem CID30851081
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1F
InChIInChI=1S/C19H23FN2O4S/c1-25-18-8-7-16(13-17(18)20)27(23,24)21-9-10-22-11-12-26-19(14-22)15-5-3-2-4-6-15/h2-8,13,19,21H,9-12,14H2,1H3/t19-/m0/s1
InChIKeyDKSUXCKAQWQFHO-IBGZPJMESA-N
XLogP2.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide (CID 30851081) is 3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
The InChIKey is DKSUXCKAQWQFHO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-25-18-8-7-16(13-17(18)20)27(23,24)21-9-10-22-11-12-26-19(14-22)15-5-3-2-4-6-15/h2-8,13,19,21H,9-12,14H2,1H3/t19-/m0/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide has a molecular weight of 394.47 g/mol, XLogP of 2.19, 7 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-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 30851081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).