N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide

C13H12N2O2S3 — CID 9190738

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1nc2ccccc2s1)c1cccs1
InChIInChI=1S/C13H12N2O2S3/c16-20(17,13-6-3-9-18-13)14-8-7-12-15-10-4-1-2-5-11(10)19-12/h1-6,9,14H,7-8H2
InChIKeyCVAKFBVHJXRQSL-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.88
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 9190738) has the molecular formula C13H12N2O2S3 and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID9190738
Molecular FormulaC13H12N2O2S3
Molecular Weight324.45 g/mol
Exact Mass324.01
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1nc2ccccc2s1)c1cccs1
InChIInChI=1S/C13H12N2O2S3/c16-20(17,13-6-3-9-18-13)14-8-7-12-15-10-4-1-2-5-11(10)19-12/h1-6,9,14H,7-8H2
InChIKeyCVAKFBVHJXRQSL-UHFFFAOYSA-N
XLogP2.88
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide
CID 9190734
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 78809854
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71866461
4-[2-(1,3-benzothiazol-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 167952980
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 78845500
3-(1,3-benzothiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83961875
N-(2-aminooxyethyl)thiophene-2-sulfonamide
CID 39245279
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-[2-(1,3-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110722045
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110646333

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide (CID 9190738) is N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1nc2ccccc2s1)c1cccs1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is CVAKFBVHJXRQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S3/c16-20(17,13-6-3-9-18-13)14-8-7-12-15-10-4-1-2-5-11(10)19-12/h1-6,9,14H,7-8H2.
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 9190738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).