N,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide

C10H13N3O2S2 — CID 551831

IUPACN,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C10H13N3O2S2/c1-3-13(4-2)17(14,15)9-7-5-6-8-10(9)12-16-11-8/h5-7H,3-4H2,1-2H3
InChIKeyFIFIDXABBBQIDX-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.72
Rot. Bonds4

About N,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide

N,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 551831) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID551831
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C10H13N3O2S2/c1-3-13(4-2)17(14,15)9-7-5-6-8-10(9)12-16-11-8/h5-7H,3-4H2,1-2H3
InChIKeyFIFIDXABBBQIDX-UHFFFAOYSA-N
XLogP1.72
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide (CID 551831) is N,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide is CCN(CC)S(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is FIFIDXABBBQIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-3-13(4-2)17(14,15)9-7-5-6-8-10(9)12-16-11-8/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide?
N,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 551831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).