N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide

C19H23FN2O3S — CID 24815815

IUPACN-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)C1
InChIInChI=1S/C19H23FN2O3S/c1-3-22-10-11-25-18(13-22)15-4-7-17(8-5-15)21-26(23,24)19-9-6-16(20)12-14(19)2/h4-9,12,18,21H,3,10-11,13H2,1-2H3
InChIKeyUQTKLNBEDVJHGL-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.33
Rot. Bonds5

About N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide

N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 24815815) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID24815815
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)C1
InChIInChI=1S/C19H23FN2O3S/c1-3-22-10-11-25-18(13-22)15-4-7-17(8-5-15)21-26(23,24)19-9-6-16(20)12-14(19)2/h4-9,12,18,21H,3,10-11,13H2,1-2H3
InChIKeyUQTKLNBEDVJHGL-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide (CID 24815815) is N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide is CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)C1.
What is the InChIKey of N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is UQTKLNBEDVJHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-3-22-10-11-25-18(13-22)15-4-7-17(8-5-15)21-26(23,24)19-9-6-16(20)12-14(19)2/h4-9,12,18,21H,3,10-11,13H2,1-2H3.
What are the key properties of N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 24815815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).