N-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide

C18H21FN2O3S — CID 24816088

IUPACN-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)C1
InChIInChI=1S/C18H21FN2O3S/c1-2-21-10-11-24-18(13-21)14-6-8-16(9-7-14)20-25(22,23)17-5-3-4-15(19)12-17/h3-9,12,18,20H,2,10-11,13H2,1H3
InChIKeyJXENXDQSTWKORT-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.02
Rot. Bonds5

About N-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide

N-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide (PubChem CID 24816088) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide
PubChem CID24816088
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)C1
InChIInChI=1S/C18H21FN2O3S/c1-2-21-10-11-24-18(13-21)14-6-8-16(9-7-14)20-25(22,23)17-5-3-4-15(19)12-17/h3-9,12,18,20H,2,10-11,13H2,1H3
InChIKeyJXENXDQSTWKORT-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.02
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]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide (CID 24816088) is N-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide is CCN1CCOC(c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)C1.
What is the InChIKey of N-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is JXENXDQSTWKORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-2-21-10-11-24-18(13-21)14-6-8-16(9-7-14)20-25(22,23)17-5-3-4-15(19)12-17/h3-9,12,18,20H,2,10-11,13H2,1H3.
What are the key properties of N-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide?
N-[4-(4-ethylmorpholin-2-yl)phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 364.44 g/mol, XLogP of 3.02, 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]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 24816088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).