3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide

C19H15N3O3S2 — CID 100740511

IUPAC3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide
SMILESO=c1sc2cc(S(=O)(=O)Nc3cccnc3)ccc2n1Cc1ccccc1
InChIInChI=1S/C19H15N3O3S2/c23-19-22(13-14-5-2-1-3-6-14)17-9-8-16(11-18(17)26-19)27(24,25)21-15-7-4-10-20-12-15/h1-12,21H,13H2
InChIKeyRQFVAEIRNPRNCZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.31
Rot. Bonds5

About 3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide

3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide (PubChem CID 100740511) has the molecular formula C19H15N3O3S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound Name3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide
PubChem CID100740511
Molecular FormulaC19H15N3O3S2
Molecular Weight397.48 g/mol
Exact Mass397.06
IUPAC Name3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide
SMILESO=c1sc2cc(S(=O)(=O)Nc3cccnc3)ccc2n1Cc1ccccc1
InChIInChI=1S/C19H15N3O3S2/c23-19-22(13-14-5-2-1-3-6-14)17-9-8-16(11-18(17)26-19)27(24,25)21-15-7-4-10-20-12-15/h1-12,21H,13H2
InChIKeyRQFVAEIRNPRNCZ-UHFFFAOYSA-N
XLogP3.31
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100536922
2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 100742448
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100739899
3-benzyl-N-(2,3-dimethylphenyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100740079
3-benzyl-2-oxo-N-(pyridin-2-ylmethyl)-1,3-benzothiazole-6-sulfonamide
CID 100740545
3-benzyl-2-oxo-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-sulfonamide
CID 100739614
3-[(4-chlorophenyl)methyl]-N-(3-nitrophenyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100751319
N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 100741003
3-benzyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100743266
3-benzyl-2-oxo-N-(1-phenylpropyl)-1,3-benzothiazole-6-sulfonamide
CID 133207689
6-(azepan-1-ylsulfonyl)-3-benzyl-1,3-benzothiazol-2-one
CID 100740114
2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide
CID 100740976

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of 3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide (CID 100740511) is 3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for 3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for 3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide is O=c1sc2cc(S(=O)(=O)Nc3cccnc3)ccc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide?
The InChIKey is RQFVAEIRNPRNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S2/c23-19-22(13-14-5-2-1-3-6-14)17-9-8-16(11-18(17)26-19)27(24,25)21-15-7-4-10-20-12-15/h1-12,21H,13H2.
What are the key properties of 3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide?
3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide has a molecular weight of 397.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-oxo-N-pyridin-3-yl-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 100740511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).