N-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide

C17H13N3O2S2 — CID 984115

IUPACN-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc2s1
InChIInChI=1S/C17H13N3O2S2/c1-11-19-14-10-13(7-8-15(14)23-11)20-24(21,22)16-6-2-4-12-5-3-9-18-17(12)16/h2-10,20H,1H3
InChIKeyREBQDYNODILWQB-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.95
Rot. Bonds3

About N-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide

N-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide (PubChem CID 984115) has the molecular formula C17H13N3O2S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide
PubChem CID984115
Molecular FormulaC17H13N3O2S2
Molecular Weight355.44 g/mol
Exact Mass355.04
IUPAC NameN-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc2s1
InChIInChI=1S/C17H13N3O2S2/c1-11-19-14-10-13(7-8-15(14)23-11)20-24(21,22)16-6-2-4-12-5-3-9-18-17(12)16/h2-10,20H,1H3
InChIKeyREBQDYNODILWQB-UHFFFAOYSA-N
XLogP3.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk872
CID 54674134
N-1,3-Benzothiazol-5-yl-6-(methylsulfonyl)-4-quinolinamine
CID 54673693
US11168093, Example 1
CID 149559960
N-(1,3-benzothiazol-5-yl)-1-quinolin-6-ylsulfonylpiperidine-4-carboxamide
CID 162522971
N-(benzo[d]thiazol-5-yl)-2,5-dimethylbenzenesulfonamide
CID 976409
N-pyrrolo[1,2-a]quinolin-6-yl-2-thiophenesulfonamide
CID 1474735
N-quinolin-5-ylthiophene-2-sulfonamide
CID 2082094
5-methyl-N-quinolin-5-ylthiophene-2-sulfonamide
CID 2082098
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
2-methyl-N-(2-methyl-5-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzo[d]thiazole-6-sulfonamide
CID 12006203

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide (CID 984115) is N-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide is Cc1nc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide?
The InChIKey is REBQDYNODILWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S2/c1-11-19-14-10-13(7-8-15(14)23-11)20-24(21,22)16-6-2-4-12-5-3-9-18-17(12)16/h2-10,20H,1H3.
What are the key properties of N-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide?
N-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide has a molecular weight of 355.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-5-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 984115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).