3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide

C17H21FN2O4S2 — CID 16933149

IUPAC3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCOCC2)cc1F
InChIInChI=1S/C17H21FN2O4S2/c1-23-17-3-2-14(10-15(17)18)26(21,22)19-11-16(13-4-9-25-12-13)20-5-7-24-8-6-20/h2-4,9-10,12,16,19H,5-8,11H2,1H3
InChIKeyPXTAKPDXUKXVRE-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.25
Rot. Bonds7

About 3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide

3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 16933149) has the molecular formula C17H21FN2O4S2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID16933149
Molecular FormulaC17H21FN2O4S2
Molecular Weight400.50 g/mol
Exact Mass400.09
IUPAC Name3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCOCC2)cc1F
InChIInChI=1S/C17H21FN2O4S2/c1-23-17-3-2-14(10-15(17)18)26(21,22)19-11-16(13-4-9-25-12-13)20-5-7-24-8-6-20/h2-4,9-10,12,16,19H,5-8,11H2,1H3
InChIKeyPXTAKPDXUKXVRE-UHFFFAOYSA-N
XLogP2.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 16933149) is 3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCOCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is PXTAKPDXUKXVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4S2/c1-23-17-3-2-14(10-15(17)18)26(21,22)19-11-16(13-4-9-25-12-13)20-5-7-24-8-6-20/h2-4,9-10,12,16,19H,5-8,11H2,1H3.
What are the key properties of 3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 16933149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).