3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide

C₁₇H₂₀ClN₅O₂S — CID 142674275

About 3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide

3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide (PubChem CID 142674275) has the molecular formula C₁₇H₂₀ClN₅O₂S and a molecular weight of 393.90 g/mol. Its IUPAC name is 3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide
• PubChem CID: 142674275
• Molecular Formula: C₁₇H₂₀ClN₅O₂S
• Molecular Weight: 393.90 g/mol
• Exact Mass: 393.10
• IUPAC Name: 3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide
• SMILES: CCN(CC)n1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3C)cc2n1
• InChI: InChI=1S/C17H20ClN5O2S/c1-4-22(5-2)23-19-15-10-9-13(11-16(15)20-23)21-26(24,25)17-8-6-7-14(18)12(17)3/h6-11,21H,4-5H2,1-3H3
• InChIKey: AGZSDDOQCABZGH-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.90
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide?

The IUPAC name of 3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide (CID 142674275) is 3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide.

What is the SMILES notation for 3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide?

The canonical SMILES for 3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide is CCN(CC)n1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3C)cc2n1.

What is the InChIKey of 3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide?

The InChIKey is AGZSDDOQCABZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2S/c1-4-22(5-2)23-19-15-10-9-13(11-16(15)20-23)21-26(24,25)17-8-6-7-14(18)12(17)3/h6-11,21H,4-5H2,1-3H3.

What are the key properties of 3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide?

3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide has a molecular weight of 393.90 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 142674275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142674275 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.