5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide

C16H12N4O2S2 — CID 71770913

IUPAC5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3cccc4ccccc34)nn2)s1
InChIInChI=1S/C16H12N4O2S2/c17-24(21,22)16-9-8-15(23-16)13-10-20(19-18-13)14-7-3-5-11-4-1-2-6-12(11)14/h1-10H,(H2,17,21,22)
InChIKeyKNFVNHRBTIJTNM-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.80
Rot. Bonds3

About 5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide

5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide (PubChem CID 71770913) has the molecular formula C16H12N4O2S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide
PubChem CID71770913
Molecular FormulaC16H12N4O2S2
Molecular Weight356.43 g/mol
Exact Mass356.04
IUPAC Name5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3cccc4ccccc34)nn2)s1
InChIInChI=1S/C16H12N4O2S2/c17-24(21,22)16-9-8-15(23-16)13-10-20(19-18-13)14-7-3-5-11-4-1-2-6-12(11)14/h1-10H,(H2,17,21,22)
InChIKeyKNFVNHRBTIJTNM-UHFFFAOYSA-N
XLogP2.80
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide (CID 71770913) is 5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2cn(-c3cccc4ccccc34)nn2)s1.
What is the InChIKey of 5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is KNFVNHRBTIJTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S2/c17-24(21,22)16-9-8-15(23-16)13-10-20(19-18-13)14-7-3-5-11-4-1-2-6-12(11)14/h1-10H,(H2,17,21,22).
What are the key properties of 5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide?
5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 356.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-naphthalen-1-yltriazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 71770913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).