4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide

C15H15FN4O3S2 — CID 122245732

IUPAC4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cn(-c3cccs3)nn2)cc1F
InChIInChI=1S/C15H15FN4O3S2/c1-2-23-14-6-5-12(8-13(14)16)25(21,22)17-9-11-10-20(19-18-11)15-4-3-7-24-15/h3-8,10,17H,2,9H2,1H3
InChIKeyLSPBYTOFVXXQJW-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.35
Rot. Bonds7

About 4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide

4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide (PubChem CID 122245732) has the molecular formula C15H15FN4O3S2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide
PubChem CID122245732
Molecular FormulaC15H15FN4O3S2
Molecular Weight382.44 g/mol
Exact Mass382.06
IUPAC Name4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cn(-c3cccs3)nn2)cc1F
InChIInChI=1S/C15H15FN4O3S2/c1-2-23-14-6-5-12(8-13(14)16)25(21,22)17-9-11-10-20(19-18-11)15-4-3-7-24-15/h3-8,10,17H,2,9H2,1H3
InChIKeyLSPBYTOFVXXQJW-UHFFFAOYSA-N
XLogP2.35
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-3-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888328
N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 110782022
4-ethoxy-N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-fluorobenzenesulfonamide
CID 121181790
4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
CID 122276037
2,2-dimethyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide
CID 126851390
4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 110758068
4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110758038
4-chloro-3-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1259590
4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
CID 91629182
4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 91625585
3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
CID 5310095
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide (CID 122245732) is 4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cn(-c3cccs3)nn2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is LSPBYTOFVXXQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3S2/c1-2-23-14-6-5-12(8-13(14)16)25(21,22)17-9-11-10-20(19-18-11)15-4-3-7-24-15/h3-8,10,17H,2,9H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide?
4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 382.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122245732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).