3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

C19H14N2O3S2 — CID 10287269

IUPAC3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C19H14N2O3S2/c22-19-15(10-13-6-4-5-9-16(13)21-19)17-11-25-18(20-17)12-26(23,24)14-7-2-1-3-8-14/h1-11H,12H2,(H,21,22)
InChIKeyDENJPOISBSHUGX-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.63
Rot. Bonds4

About 3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 10287269) has the molecular formula C19H14N2O3S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID10287269
Molecular FormulaC19H14N2O3S2
Molecular Weight382.47 g/mol
Exact Mass382.04
IUPAC Name3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C19H14N2O3S2/c22-19-15(10-13-6-4-5-9-16(13)21-19)17-11-25-18(20-17)12-26(23,24)14-7-2-1-3-8-14/h1-11H,12H2,(H,21,22)
InChIKeyDENJPOISBSHUGX-UHFFFAOYSA-N
XLogP3.63
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-Amino-phenyl)-thiazol-4-yl]-1H-quinolin-2-one
CID 10149743
3-[2-(Methanesulfonylmethyl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10149755
3-{2-[(Pyridine-2-sulfonyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10215918
3-[2-(Thiophen-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10286404
quinolin-2(1H)-one derivative, 17m
CID 10287815
3-{2-[(Benzenesulfinyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10309171
3-{2-[(Thiophene-2-sulfonyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10309500
4-Methyl-2-phenyl-N-(4-sulfamoylphenyl)thiazole-5-carboxamide
CID 2814179
3-(2-Phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinolin-2-one
CID 22638512
quinolin-2(1H)-one derivative, 17o
CID 22638559
N-(3-fluoro-4-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2548953
N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 1331233

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 10287269) is 3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is DENJPOISBSHUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S2/c22-19-15(10-13-6-4-5-9-16(13)21-19)17-11-25-18(20-17)12-26(23,24)14-7-2-1-3-8-14/h1-11H,12H2,(H,21,22).
What are the key properties of 3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 382.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 10287269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).