2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide

C18H23FN2O5S2 — CID 43062057

IUPAC2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCC(c2cccs2)N2CCOCC2)cc1OC
InChIInChI=1S/C18H23FN2O5S2/c1-24-15-10-13(19)18(11-16(15)25-2)28(22,23)20-12-14(17-4-3-9-27-17)21-5-7-26-8-6-21/h3-4,9-11,14,20H,5-8,12H2,1-2H3
InChIKeyUERNKCAOMOHOAB-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.26
Rot. Bonds8

About 2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide

2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 43062057) has the molecular formula C18H23FN2O5S2 and a molecular weight of 430.52 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID43062057
Molecular FormulaC18H23FN2O5S2
Molecular Weight430.52 g/mol
Exact Mass430.10
IUPAC Name2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCC(c2cccs2)N2CCOCC2)cc1OC
InChIInChI=1S/C18H23FN2O5S2/c1-24-15-10-13(19)18(11-16(15)25-2)28(22,23)20-12-14(17-4-3-9-27-17)21-5-7-26-8-6-21/h3-4,9-11,14,20H,5-8,12H2,1-2H3
InChIKeyUERNKCAOMOHOAB-UHFFFAOYSA-N
XLogP2.26
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide (CID 43062057) is 2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide is COc1cc(F)c(S(=O)(=O)NCC(c2cccs2)N2CCOCC2)cc1OC.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is UERNKCAOMOHOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O5S2/c1-24-15-10-13(19)18(11-16(15)25-2)28(22,23)20-12-14(17-4-3-9-27-17)21-5-7-26-8-6-21/h3-4,9-11,14,20H,5-8,12H2,1-2H3.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 430.52 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43062057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).