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

C14H13FN4O2S2 — CID 122276023

IUPAC4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cn(-c3ccsc3)nn2)ccc1F
InChIInChI=1S/C14H13FN4O2S2/c1-10-6-13(2-3-14(10)15)23(20,21)16-7-11-8-19(18-17-11)12-4-5-22-9-12/h2-6,8-9,16H,7H2,1H3
InChIKeyQLCXVLNLEKFPIH-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.25
Rot. Bonds5

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

4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide (PubChem CID 122276023) has the molecular formula C14H13FN4O2S2 and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
PubChem CID122276023
Molecular FormulaC14H13FN4O2S2
Molecular Weight352.42 g/mol
Exact Mass352.05
IUPAC Name4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cn(-c3ccsc3)nn2)ccc1F
InChIInChI=1S/C14H13FN4O2S2/c1-10-6-13(2-3-14(10)15)23(20,21)16-7-11-8-19(18-17-11)12-4-5-22-9-12/h2-6,8-9,16H,7H2,1H3
InChIKeyQLCXVLNLEKFPIH-UHFFFAOYSA-N
XLogP2.25
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide (CID 122276023) is 4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2cn(-c3ccsc3)nn2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is QLCXVLNLEKFPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S2/c1-10-6-13(2-3-14(10)15)23(20,21)16-7-11-8-19(18-17-11)12-4-5-22-9-12/h2-6,8-9,16H,7H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 352.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122276023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).