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

C10H12N2O3S2 — CID 100540910

IUPACN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide
SMILESCCn1c(=O)sc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C10H12N2O3S2/c1-3-12-8-5-4-7(11-17(2,14)15)6-9(8)16-10(12)13/h4-6,11H,3H2,1-2H3
InChIKeyXSJGYUWZITYPAT-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.45
Rot. Bonds3

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

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide (PubChem CID 100540910) has the molecular formula C10H12N2O3S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide
PubChem CID100540910
Molecular FormulaC10H12N2O3S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide
SMILESCCn1c(=O)sc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C10H12N2O3S2/c1-3-12-8-5-4-7(11-17(2,14)15)6-9(8)16-10(12)13/h4-6,11H,3H2,1-2H3
InChIKeyXSJGYUWZITYPAT-UHFFFAOYSA-N
XLogP1.45
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2,4,6-trimethylbenzenesulfonamide
CID 50800094
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
CID 50744070
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3,4-dimethylbenzenesulfonamide
CID 50744059
1-(3,4-dichlorophenyl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide
CID 100542545
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 15990432
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100548336
5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide
CID 50800114
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-iodo-4-methoxybenzenesulfonamide
CID 100540988
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 22577353
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methyl-5-nitrobenzenesulfonamide
CID 100542346
N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100722674
[3-ethyl-2-[[3-ethyl-6-(sulfoamino)-1,3-benzothiazol-2-ylidene]hydrazinylidene]-1,3-benzothiazol-6-yl]sulfamic acid
CID 57111806

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide?
The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide (CID 100540910) is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide.
What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide?
The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide is CCn1c(=O)sc2cc(NS(C)(=O)=O)ccc21.
What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide?
The InChIKey is XSJGYUWZITYPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S2/c1-3-12-8-5-4-7(11-17(2,14)15)6-9(8)16-10(12)13/h4-6,11H,3H2,1-2H3.
What are the key properties of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide?
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide is sourced from PubChem (CID 100540910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).