N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C16H12ClN3O3S2 — CID 60592871

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)ccc2N1
InChIInChI=1S/C16H12ClN3O3S2/c17-10-2-4-13-14(8-10)24-16(19-13)20-25(22,23)11-3-5-12-9(7-11)1-6-15(21)18-12/h2-5,7-8H,1,6H2,(H,18,21)(H,19,20)
InChIKeyABOOEQLYDBJYFX-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.64
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 60592871) has the molecular formula C16H12ClN3O3S2 and a molecular weight of 393.88 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID60592871
Molecular FormulaC16H12ClN3O3S2
Molecular Weight393.88 g/mol
Exact Mass393.00
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)ccc2N1
InChIInChI=1S/C16H12ClN3O3S2/c17-10-2-4-13-14(8-10)24-16(19-13)20-25(22,23)11-3-5-12-9(7-11)1-6-15(21)18-12/h2-5,7-8H,1,6H2,(H,18,21)(H,19,20)
InChIKeyABOOEQLYDBJYFX-UHFFFAOYSA-N
XLogP3.64
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108782569
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide
CID 43456406
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 46254045
4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934058
N-(6-bromo-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 16934052
N-(6-amino-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 28528726
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
N-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7601955
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide
CID 108782575
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110756980
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 60592871) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)ccc2N1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is ABOOEQLYDBJYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S2/c17-10-2-4-13-14(8-10)24-16(19-13)20-25(22,23)11-3-5-12-9(7-11)1-6-15(21)18-12/h2-5,7-8H,1,6H2,(H,18,21)(H,19,20).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 393.88 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 60592871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).