N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide

C12H16N2O3S2 — CID 60640590

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccc(OCC)cc2s1
InChIInChI=1S/C12H16N2O3S2/c1-3-7-19(15,16)14-12-13-10-6-5-9(17-4-2)8-11(10)18-12/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeySQGKUOAQLFKTTF-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.85
Rot. Bonds6

About N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide (PubChem CID 60640590) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide
PubChem CID60640590
Molecular FormulaC12H16N2O3S2
Molecular Weight300.41 g/mol
Exact Mass300.06
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccc(OCC)cc2s1
InChIInChI=1S/C12H16N2O3S2/c1-3-7-19(15,16)14-12-13-10-6-5-9(17-4-2)8-11(10)18-12/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeySQGKUOAQLFKTTF-UHFFFAOYSA-N
XLogP2.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)butane-1-sulfonamide
CID 116814837
1-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide
CID 83085276
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 110757005
N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640584
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide
CID 57411915
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 43952248
4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide
CID 66486153
3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 7573756
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate
CID 108747722

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide (CID 60640590) is N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1nc2ccc(OCC)cc2s1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide?
The InChIKey is SQGKUOAQLFKTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-3-7-19(15,16)14-12-13-10-6-5-9(17-4-2)8-11(10)18-12/h5-6,8H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 60640590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).