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

C17H21FN2O3S2 — CID 16933169

IUPAC4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(c2ccsc2)N2CCOCC2)ccc1F
InChIInChI=1S/C17H21FN2O3S2/c1-13-10-15(2-3-16(13)18)25(21,22)19-11-17(14-4-9-24-12-14)20-5-7-23-8-6-20/h2-4,9-10,12,17,19H,5-8,11H2,1H3
InChIKeyHGUUOLFVDDQUJI-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.55
Rot. Bonds6

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

4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 16933169) has the molecular formula C17H21FN2O3S2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID16933169
Molecular FormulaC17H21FN2O3S2
Molecular Weight384.50 g/mol
Exact Mass384.10
IUPAC Name4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(c2ccsc2)N2CCOCC2)ccc1F
InChIInChI=1S/C17H21FN2O3S2/c1-13-10-15(2-3-16(13)18)25(21,22)19-11-17(14-4-9-24-12-14)20-5-7-23-8-6-20/h2-4,9-10,12,17,19H,5-8,11H2,1H3
InChIKeyHGUUOLFVDDQUJI-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 16933169) is 4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCC(c2ccsc2)N2CCOCC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is HGUUOLFVDDQUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S2/c1-13-10-15(2-3-16(13)18)25(21,22)19-11-17(14-4-9-24-12-14)20-5-7-23-8-6-20/h2-4,9-10,12,17,19H,5-8,11H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 16933169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).