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

C16H19FN2O3S2 — CID 16933151

IUPAC3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2O3S2/c17-14-2-1-3-15(10-14)24(20,21)18-11-16(13-4-9-23-12-13)19-5-7-22-8-6-19/h1-4,9-10,12,16,18H,5-8,11H2
InChIKeyRNSYGJIEHMEQLG-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.24
Rot. Bonds6

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

3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 16933151) has the molecular formula C16H19FN2O3S2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID16933151
Molecular FormulaC16H19FN2O3S2
Molecular Weight370.47 g/mol
Exact Mass370.08
IUPAC Name3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2O3S2/c17-14-2-1-3-15(10-14)24(20,21)18-11-16(13-4-9-23-12-13)19-5-7-22-8-6-19/h1-4,9-10,12,16,18H,5-8,11H2
InChIKeyRNSYGJIEHMEQLG-UHFFFAOYSA-N
XLogP2.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 16933151) is 3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is O=S(=O)(NCC(c1ccsc1)N1CCOCC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is RNSYGJIEHMEQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S2/c17-14-2-1-3-15(10-14)24(20,21)18-11-16(13-4-9-23-12-13)19-5-7-22-8-6-19/h1-4,9-10,12,16,18H,5-8,11H2.
What are the key properties of 3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 16933151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).