N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

C11H9N3O2S3 — CID 5060903

IUPACN-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1cccc2nsnc12
InChIInChI=1S/C11H9N3O2S3/c15-19(16,12-7-8-3-2-6-17-8)10-5-1-4-9-11(10)14-18-13-9/h1-6,12H,7H2
InChIKeyVIJIMDJFWUHOKC-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.23
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 5060903) has the molecular formula C11H9N3O2S3 and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID5060903
Molecular FormulaC11H9N3O2S3
Molecular Weight311.41 g/mol
Exact Mass310.99
IUPAC NameN-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1cccc2nsnc12
InChIInChI=1S/C11H9N3O2S3/c15-19(16,12-7-8-3-2-6-17-8)10-5-1-4-9-11(10)14-18-13-9/h1-6,12H,7H2
InChIKeyVIJIMDJFWUHOKC-UHFFFAOYSA-N
XLogP2.23
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 5060903) is N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(NCc1cccs1)c1cccc2nsnc12.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is VIJIMDJFWUHOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S3/c15-19(16,12-7-8-3-2-6-17-8)10-5-1-4-9-11(10)14-18-13-9/h1-6,12H,7H2.
What are the key properties of N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 5060903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).