2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide

C15H20N2O4S2 — CID 133207615

IUPAC2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C15H20N2O4S2/c1-2-7-17-13-6-5-12(9-14(13)22-15(17)18)23(19,20)16-10-11-4-3-8-21-11/h5-6,9,11,16H,2-4,7-8,10H2,1H3
InChIKeyBMHCJQQOBRPMGY-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.93
Rot. Bonds6

About 2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide

2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide (PubChem CID 133207615) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
PubChem CID133207615
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC Name2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C15H20N2O4S2/c1-2-7-17-13-6-5-12(9-14(13)22-15(17)18)23(19,20)16-10-11-4-3-8-21-11/h5-6,9,11,16H,2-4,7-8,10H2,1H3
InChIKeyBMHCJQQOBRPMGY-UHFFFAOYSA-N
XLogP1.93
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-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

N-[[(2S)-oxolan-2-yl]methyl]-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 95085367
N-[(4-methylphenyl)methyl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 53075124
N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 53075154
N-(2-ethyl-6-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100736009
N-(4-fluoro-2-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 53075152
2-oxo-N-(3-phenylpropyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100736520
N-(4-chloro-2-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100735297
2-oxo-N-(3-propan-2-yloxypropyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100736148
N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
CID 95864984
2-oxo-N-(2-propan-2-ylphenyl)-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100735989
N-(5-methyl-2-pyridinyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 53075107
2-oxo-3-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]-1,3-benzothiazole-6-sulfonamide
CID 133220456

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide (CID 133207615) is 2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide is CCCn1c(=O)sc2cc(S(=O)(=O)NCC3CCCO3)ccc21.
What is the InChIKey of 2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide?
The InChIKey is BMHCJQQOBRPMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-2-7-17-13-6-5-12(9-14(13)22-15(17)18)23(19,20)16-10-11-4-3-8-21-11/h5-6,9,11,16H,2-4,7-8,10H2,1H3.
What are the key properties of 2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide?
2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide has a molecular weight of 356.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(oxolan-2-ylmethyl)-3-propyl-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 133207615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).