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

C11H9N3O3S2 — CID 6466622

IUPACN-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1cccc2nonc12
InChIInChI=1S/C11H9N3O3S2/c15-19(16,12-7-8-3-2-6-18-8)10-5-1-4-9-11(10)14-17-13-9/h1-6,12H,7H2
InChIKeyABNUGHFRPFUQFA-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.76
Rot. Bonds4

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

N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 6466622) has the molecular formula C11H9N3O3S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID6466622
Molecular FormulaC11H9N3O3S2
Molecular Weight295.34 g/mol
Exact Mass295.01
IUPAC NameN-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1cccc2nonc12
InChIInChI=1S/C11H9N3O3S2/c15-19(16,12-7-8-3-2-6-18-8)10-5-1-4-9-11(10)14-17-13-9/h1-6,12H,7H2
InChIKeyABNUGHFRPFUQFA-UHFFFAOYSA-N
XLogP1.76
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(methylsulfanyl)phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 6468224
N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 4649843
N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 6467616
N-[2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)phenyl]thiophene-2-sulfonamide
CID 2821812
3-(benzo[c][1,2,5]oxadiazole-4-sulfonamido)-N-(thiophen-2-ylmethyl)propanamide
CID 3240453
N-(1,1-dioxothiolan-3-yl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 2810889
N-allyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 2187422
N-(4,5-dimethylthiophen-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 177262092
N-methyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 17369469
N-propan-2-yl-2,1,3-benzoxadiazole-4-sulfonamide
CID 3418772
N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide
CID 2821522
N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 2822878

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide (CID 6466622) is N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide is O=S(=O)(NCc1cccs1)c1cccc2nonc12.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is ABNUGHFRPFUQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S2/c15-19(16,12-7-8-3-2-6-18-8)10-5-1-4-9-11(10)14-17-13-9/h1-6,12H,7H2.
What are the key properties of N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide?
N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.76, 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-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 6466622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).