N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide

C24H25N3O3S2 — CID 118732429

IUPACN-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide
SMILESO=c1sc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2n1CCN1CCCCC1
InChIInChI=1S/C24H25N3O3S2/c28-24-27(15-14-26-12-4-1-5-13-26)22-11-9-20(17-23(22)31-24)25-32(29,30)21-10-8-18-6-2-3-7-19(18)16-21/h2-3,6-11,16-17,25H,1,4-5,12-15H2
InChIKeyCGWZJJZXFPMTNW-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.50
Rot. Bonds6

About N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide

N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide (PubChem CID 118732429) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide
PubChem CID118732429
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC NameN-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide
SMILESO=c1sc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2n1CCN1CCCCC1
InChIInChI=1S/C24H25N3O3S2/c28-24-27(15-14-26-12-4-1-5-13-26)22-11-9-20(17-23(22)31-24)25-32(29,30)21-10-8-18-6-2-3-7-19(18)16-21/h2-3,6-11,16-17,25H,1,4-5,12-15H2
InChIKeyCGWZJJZXFPMTNW-UHFFFAOYSA-N
XLogP4.50
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide
CID 11166043
3-benzyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100536922
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100719065
N-(3-chlorophenyl)-2-oxo-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-benzothiazole-6-sulfonamide
CID 53080986
3-[2-(azepan-1-yl)ethyl]-6-benzyl-1,3-benzothiazol-2-one;hydrochloride
CID 25196536
4-fluoro-3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50800155
2-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenyl-1,3-benzothiazole-6-sulfonamide
CID 53080446
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3,4-dimethylbenzenesulfonamide
CID 50744059
N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 53075154
3-methyl-2-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 100719078
3-[2-(azepan-1-yl)ethyl]-6-benzoyl-1,3-benzothiazol-2-one
CID 25196534
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100739899

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide (CID 118732429) is N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide is O=c1sc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2n1CCN1CCCCC1.
What is the InChIKey of N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide?
The InChIKey is CGWZJJZXFPMTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c28-24-27(15-14-26-12-4-1-5-13-26)22-11-9-20(17-23(22)31-24)25-32(29,30)21-10-8-18-6-2-3-7-19(18)16-21/h2-3,6-11,16-17,25H,1,4-5,12-15H2.
What are the key properties of N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide?
N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide has a molecular weight of 467.62 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 118732429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).