N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide

C8H5BrClN3O3S2 — CID 64607879

IUPACN-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2ncc(Br)s2)cc1Cl
InChIInChI=1S/C8H5BrClN3O3S2/c9-6-3-12-8(17-6)13-18(15,16)4-1-5(10)7(14)11-2-4/h1-3H,(H,11,14)(H,12,13)
InChIKeyZTEABKCNQDJYJO-UHFFFAOYSA-N
MW370.64 g/mol
LogP2.05
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide

N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64607879) has the molecular formula C8H5BrClN3O3S2 and a molecular weight of 370.64 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64607879
Molecular FormulaC8H5BrClN3O3S2
Molecular Weight370.64 g/mol
Exact Mass368.86
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2ncc(Br)s2)cc1Cl
InChIInChI=1S/C8H5BrClN3O3S2/c9-6-3-12-8(17-6)13-18(15,16)4-1-5(10)7(14)11-2-4/h1-3H,(H,11,14)(H,12,13)
InChIKeyZTEABKCNQDJYJO-UHFFFAOYSA-N
XLogP2.05
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.64
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608816
5-chloro-N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607480
N-(2-bromo-3-chlorophenyl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
CID 103481116
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 60785748
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
CID 107649952
5-chloro-N-(2,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606342
N-(5-bromo-1,3-thiazol-2-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004029
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-nitrobenzenesulfonamide
CID 60783868
5-chloro-6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
CID 104619451
N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide
CID 54881580
N-(5-bromo-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60784344
1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea
CID 24752362

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide (CID 64607879) is N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide is O=c1[nH]cc(S(=O)(=O)Nc2ncc(Br)s2)cc1Cl.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is ZTEABKCNQDJYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN3O3S2/c9-6-3-12-8(17-6)13-18(15,16)4-1-5(10)7(14)11-2-4/h1-3H,(H,11,14)(H,12,13).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 370.64 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64607879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).