6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide

C10H10ClNO3S — CID 117061278

IUPAC6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide
SMILESCC(C)OC1=NS(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C10H10ClNO3S/c1-6(2)15-10-8-4-3-7(11)5-9(8)16(13,14)12-10/h3-6H,1-2H3
InChIKeyTVCXYHUOUDGFPV-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.21
Rot. Bonds1

About 6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide

6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide (PubChem CID 117061278) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is 6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide
PubChem CID117061278
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide
SMILESCC(C)OC1=NS(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C10H10ClNO3S/c1-6(2)15-10-8-4-3-7(11)5-9(8)16(13,14)12-10/h3-6H,1-2H3
InChIKeyTVCXYHUOUDGFPV-UHFFFAOYSA-N
XLogP2.21
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide 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

Probenazole
CID 91587
4-Chloro-N-(isopropoxy-phenyl-methylene)-benzenesulfonamide
CID 6361314
3-Ethoxy-1H-1lambda~6~,2-benzothiazole-1,1-dione
CID 804844
propan-2-yl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidate
CID 5664176
propan-2-yl N-(4-chlorophenyl)sulfonylbenzenecarboximidate
CID 2305336
3-(Propan-2-yloxy)-1,2-benzothiazole 1,1-dioxide
CID 3163205
methyl N-(4-chlorophenyl)sulfonylbenzenecarboximidate
CID 766155
methyl N-[(4-chlorophenyl)sulfonyl]benzenecarboximidoate
CID 5403509
3-Propoxy-1H-1lambda~6~,2-benzothiazole-1,1-dione
CID 69934596
3-[(E)-but-2-enoxy]-1,2-benzothiazole 1,1-dioxide
CID 15438997
3-(1,3-Dichloropropan-2-yloxy)-1,2-benzothiazole 1,1-dioxide
CID 247529
3-Pentoxy-1,2-benzothiazole 1,1-dioxide
CID 69718088

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide (CID 117061278) is 6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide is CC(C)OC1=NS(=O)(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide?
The InChIKey is TVCXYHUOUDGFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c1-6(2)15-10-8-4-3-7(11)5-9(8)16(13,14)12-10/h3-6H,1-2H3.
What are the key properties of 6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide?
6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide has a molecular weight of 259.71 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-propan-2-yloxy-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 117061278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).