4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

C11H8N2O2S3 — CID 11687981

IUPAC4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C11H8N2O2S3/c12-18(14,15)10-5-7(6-16-10)11-13-8-3-1-2-4-9(8)17-11/h1-6H,(H2,12,14,15)
InChIKeyGKGZVFYMXSXLJJ-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.67
Rot. Bonds2

About 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 11687981) has the molecular formula C11H8N2O2S3 and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
PubChem CID11687981
Molecular FormulaC11H8N2O2S3
Molecular Weight296.40 g/mol
Exact Mass295.97
IUPAC Name4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C11H8N2O2S3/c12-18(14,15)10-5-7(6-16-10)11-13-8-3-1-2-4-9(8)17-11/h1-6H,(H2,12,14,15)
InChIKeyGKGZVFYMXSXLJJ-UHFFFAOYSA-N
XLogP2.67
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Benzothiazolesulfonamide
CID 67944
Benzothiazole-2-sulfonic acid
CID 30647
3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid
CID 162569
2-(Allylsulfonyl)benzothiazole
CID 701066
2-(Methylsulfonyl)benzothiazole
CID 242777
2-(2-Thienyl)benzothiazole
CID 290787
4-(1,3-Benzothiazol-2-Ylsulfanyl)-2,3,5,6-Tetrakis(Fluoranyl)benzenesulfonamide
CID 71584454
2-(Ethyldisulfanyl)-1,3-benzothiazole
CID 21292518
2-(Methylthio)-3-(3-sulphonatopropyl)benzothiazolium
CID 113080
Benzothiazole, 2,2'-methylenebis-
CID 74755
2-(Ethylthio)benzothiazole
CID 75993
3-(2,6-Dimethyl-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonate
CID 2827568

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (CID 11687981) is 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is NS(=O)(=O)c1cc(-c2nc3ccccc3s2)cs1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is GKGZVFYMXSXLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S3/c12-18(14,15)10-5-7(6-16-10)11-13-8-3-1-2-4-9(8)17-11/h1-6H,(H2,12,14,15).
What are the key properties of 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 296.40 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 11687981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).