N-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide

C16H11N3O2S2 — CID 155514797

IUPACN-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide
SMILESO=S(=O)(Nc1cccc2cccnc12)c1ccc2ncsc2c1
InChIInChI=1S/C16H11N3O2S2/c20-23(21,12-6-7-13-15(9-12)22-10-18-13)19-14-5-1-3-11-4-2-8-17-16(11)14/h1-10,19H
InChIKeyAPWTVSAYJSUBCS-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.65
Rot. Bonds3

About N-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide

N-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide (PubChem CID 155514797) has the molecular formula C16H11N3O2S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide
PubChem CID155514797
Molecular FormulaC16H11N3O2S2
Molecular Weight341.42 g/mol
Exact Mass341.03
IUPAC NameN-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide
SMILESO=S(=O)(Nc1cccc2cccnc12)c1ccc2ncsc2c1
InChIInChI=1S/C16H11N3O2S2/c20-23(21,12-6-7-13-15(9-12)22-10-18-13)19-14-5-1-3-11-4-2-8-17-16(11)14/h1-10,19H
InChIKeyAPWTVSAYJSUBCS-UHFFFAOYSA-N
XLogP3.65
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(quinolin-8-yl)thiophene-2-sulfonamide
CID 830459
Gsk872
CID 54674134
N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 16194568
N-(1,3-Benzothiazol-2-ylmethyl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 46888705
N-1,3-Benzothiazol-5-yl-6-(methylsulfonyl)-4-quinolinamine
CID 54673693
4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide
CID 118873482
N-(2-methyl-5-(thiazolo[5,4-b]pyridin-2-yl)phenyl)ethanesulfonamide
CID 5310341
N-(4-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 5310576
5-ethyl-N-(4-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 9550341
2-methyl-N-(4-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzo[d]thiazole-6-sulfonamide
CID 12006124
2-methyl-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzo[d]thiazole-6-sulfonamide
CID 12006170
2-methyl-N-(2-methyl-3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzo[d]thiazole-6-sulfonamide
CID 12006183

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide (CID 155514797) is N-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide is O=S(=O)(Nc1cccc2cccnc12)c1ccc2ncsc2c1.
What is the InChIKey of N-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide?
The InChIKey is APWTVSAYJSUBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S2/c20-23(21,12-6-7-13-15(9-12)22-10-18-13)19-14-5-1-3-11-4-2-8-17-16(11)14/h1-10,19H.
What are the key properties of N-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide?
N-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide has a molecular weight of 341.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 155514797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).