N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide

C11H14N2O2S2 — CID 30153017

IUPACN-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide
SMILESCCc1nc2ccc(NS(=O)(=O)CC)cc2s1
InChIInChI=1S/C11H14N2O2S2/c1-3-11-12-9-6-5-8(7-10(9)16-11)13-17(14,15)4-2/h5-7,13H,3-4H2,1-2H3
InChIKeyNYMQHRBLVPTOLR-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.62
Rot. Bonds4

About N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide

N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide (PubChem CID 30153017) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide
PubChem CID30153017
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC NameN-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide
SMILESCCc1nc2ccc(NS(=O)(=O)CC)cc2s1
InChIInChI=1S/C11H14N2O2S2/c1-3-11-12-9-6-5-8(7-10(9)16-11)13-17(14,15)4-2/h5-7,13H,3-4H2,1-2H3
InChIKeyNYMQHRBLVPTOLR-UHFFFAOYSA-N
XLogP2.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azane;2-ethyl-1,3-benzothiazole-6-sulfonic acid
CID 174889953
(2-ethyl-1,3-benzothiazol-6-yl)methanesulfonic acid
CID 174833432
2,4,6-trimethyl-N-(2-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 30152738
2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
1-chloro-3-[(2-ethyl-1,3-benzothiazol-6-yl)amino]propan-2-ol
CID 168638641
5-[[(2-ethyl-1,3-benzothiazol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168538818
N-butan-2-yl-2-[[6-(ethylsulfonylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 71843191
6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane
CID 142320199
N-quinolin-6-ylethanesulfonamide
CID 64584546
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
1-(3,5-difluorophenyl)-N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)methanesulfonamide
CID 50839709
2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide
CID 30152451

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide?
The IUPAC name of N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide (CID 30153017) is N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide?
The canonical SMILES for N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide is CCc1nc2ccc(NS(=O)(=O)CC)cc2s1.
What is the InChIKey of N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide?
The InChIKey is NYMQHRBLVPTOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-3-11-12-9-6-5-8(7-10(9)16-11)13-17(14,15)4-2/h5-7,13H,3-4H2,1-2H3.
What are the key properties of N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide?
N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide has a molecular weight of 270.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzothiazol-6-yl)ethanesulfonamide is sourced from PubChem (CID 30153017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).