1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide

C14H13FN4O2S2 — CID 122276024

IUPAC1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C14H13FN4O2S2/c15-12-3-1-11(2-4-12)10-23(20,21)16-7-13-8-19(18-17-13)14-5-6-22-9-14/h1-6,8-9,16H,7,10H2
InChIKeyXUDHXAFODZOZID-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.09
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide (PubChem CID 122276024) has the molecular formula C14H13FN4O2S2 and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide
PubChem CID122276024
Molecular FormulaC14H13FN4O2S2
Molecular Weight352.42 g/mol
Exact Mass352.05
IUPAC Name1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C14H13FN4O2S2/c15-12-3-1-11(2-4-12)10-23(20,21)16-7-13-8-19(18-17-13)14-5-6-22-9-14/h1-6,8-9,16H,7,10H2
InChIKeyXUDHXAFODZOZID-UHFFFAOYSA-N
XLogP2.09
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide (CID 122276024) is 1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide?
The InChIKey is XUDHXAFODZOZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S2/c15-12-3-1-11(2-4-12)10-23(20,21)16-7-13-8-19(18-17-13)14-5-6-22-9-14/h1-6,8-9,16H,7,10H2.
What are the key properties of 1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide has a molecular weight of 352.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 122276024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).