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

C14H13FN4O2S2 — CID 122276022

IUPAC4-fluoro-2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C14H13FN4O2S2/c1-10-6-11(15)2-3-14(10)23(20,21)16-7-12-8-19(18-17-12)13-4-5-22-9-13/h2-6,8-9,16H,7H2,1H3
InChIKeyHULVYPSHUSMSBZ-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.25
Rot. Bonds5

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

4-fluoro-2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide (PubChem CID 122276022) has the molecular formula C14H13FN4O2S2 and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
PubChem CID122276022
Molecular FormulaC14H13FN4O2S2
Molecular Weight352.42 g/mol
Exact Mass352.05
IUPAC Name4-fluoro-2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C14H13FN4O2S2/c1-10-6-11(15)2-3-14(10)23(20,21)16-7-12-8-19(18-17-12)13-4-5-22-9-13/h2-6,8-9,16H,7H2,1H3
InChIKeyHULVYPSHUSMSBZ-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-2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide (CID 122276022) is 4-fluoro-2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is HULVYPSHUSMSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S2/c1-10-6-11(15)2-3-14(10)23(20,21)16-7-12-8-19(18-17-12)13-4-5-22-9-13/h2-6,8-9,16H,7H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
4-fluoro-2-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-2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122276022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).