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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Related Compounds

N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3585479
N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 692311
N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 660674
N-isopropyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 758960
1-(2-Thienylsulfonyl)-1H-benzotriazole
CID 3812340
4-(Pyrrolidine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 3245186
3-[(Benzo[c]1,2,5-thiadiazol-4-ylsulfonyl)methylamino]thiolane-1,1-dione
CID 660450
3-(2,1,3-Benzothiadiazole-4-sulfonamido)-N-[(thiophen-2-YL)methyl]propanamide
CID 3236377
N~2~-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~2~-methyl-N~1~-(thien-2-ylmethyl)glycinamide
CID 3244033
N-[3-(methylthio)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 3245691
N-(1,1-dioxothiolan-3-yl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 2810889
N-(4,5-dimethylthiophen-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 177262092

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).