N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

C15H11N3O2S4 — CID 129357372

IUPACN-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1cccc2nsnc12
InChIInChI=1S/C15H11N3O2S4/c19-24(20,13-5-1-3-11-15(13)17-23-16-11)18-14(10-6-8-21-9-10)12-4-2-7-22-12/h1-9,14,18H/t14-/m0/s1
InChIKeyQGVFWQQMGSXQQD-AWEZNQCLSA-N
MW393.54 g/mol
LogP3.88
Rot. Bonds5

About N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 129357372) has the molecular formula C15H11N3O2S4 and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID129357372
Molecular FormulaC15H11N3O2S4
Molecular Weight393.54 g/mol
Exact Mass392.97
IUPAC NameN-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1cccc2nsnc12
InChIInChI=1S/C15H11N3O2S4/c19-24(20,13-5-1-3-11-15(13)17-23-16-11)18-14(10-6-8-21-9-10)12-4-2-7-22-12/h1-9,14,18H/t14-/m0/s1
InChIKeyQGVFWQQMGSXQQD-AWEZNQCLSA-N
XLogP3.88
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 129357372) is N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1cccc2nsnc12.
What is the InChIKey of N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is QGVFWQQMGSXQQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11N3O2S4/c19-24(20,13-5-1-3-11-15(13)17-23-16-11)18-14(10-6-8-21-9-10)12-4-2-7-22-12/h1-9,14,18H/t14-/m0/s1.
What are the key properties of N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 393.54 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 129357372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).