2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide

C13H10F2N4O2S2 — CID 122276029

IUPAC2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cn(-c2ccsc2)nn1)c1cc(F)ccc1F
InChIInChI=1S/C13H10F2N4O2S2/c14-9-1-2-12(15)13(5-9)23(20,21)16-6-10-7-19(18-17-10)11-3-4-22-8-11/h1-5,7-8,16H,6H2
InChIKeyGKTCSFZIKQMDME-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.09
Rot. Bonds5

About 2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide

2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide (PubChem CID 122276029) has the molecular formula C13H10F2N4O2S2 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
PubChem CID122276029
Molecular FormulaC13H10F2N4O2S2
Molecular Weight356.38 g/mol
Exact Mass356.02
IUPAC Name2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cn(-c2ccsc2)nn1)c1cc(F)ccc1F
InChIInChI=1S/C13H10F2N4O2S2/c14-9-1-2-12(15)13(5-9)23(20,21)16-6-10-7-19(18-17-10)11-3-4-22-8-11/h1-5,7-8,16H,6H2
InChIKeyGKTCSFZIKQMDME-UHFFFAOYSA-N
XLogP2.09
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
CID 122276027
2-chloro-4-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122162202
3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275801
4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
CID 122276037
1-(2,6-difluorophenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275994
2,5-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166003
2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207747
N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
CID 122162192
1-(3,5-dimethoxyphenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275982
2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275655
1-(1-adamantyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275978
2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133885

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide (CID 122276029) is 2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1cn(-c2ccsc2)nn1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is GKTCSFZIKQMDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O2S2/c14-9-1-2-12(15)13(5-9)23(20,21)16-6-10-7-19(18-17-10)11-3-4-22-8-11/h1-5,7-8,16H,6H2.
What are the key properties of 2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 356.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122276029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).