5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide

C8H4Cl2N4O4S2 — CID 64607449

IUPAC5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESO=[N+]([O-])c1cnc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)s1
InChIInChI=1S/C8H4Cl2N4O4S2/c9-5-1-4(2-11-7(5)10)20(17,18)13-8-12-3-6(19-8)14(15)16/h1-3H,(H,12,13)
InChIKeyCSTGPURCINNMJZ-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.55
Rot. Bonds4

About 5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide

5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 64607449) has the molecular formula C8H4Cl2N4O4S2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide
PubChem CID64607449
Molecular FormulaC8H4Cl2N4O4S2
Molecular Weight355.18 g/mol
Exact Mass353.91
IUPAC Name5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESO=[N+]([O-])c1cnc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)s1
InChIInChI=1S/C8H4Cl2N4O4S2/c9-5-1-4(2-11-7(5)10)20(17,18)13-8-12-3-6(19-8)14(15)16/h1-3H,(H,12,13)
InChIKeyCSTGPURCINNMJZ-UHFFFAOYSA-N
XLogP2.55
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzenesulfonamide
CID 106611531
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide
CID 4731003
6-amino-5-chloro-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 64608128
5,6-dichloro-N-(2,5-dimethylpyrazol-3-yl)pyridine-3-sulfonamide
CID 64625172
5,6-dichloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 64625188
5,6-dichloro-N-(2,4,6-triiodophenyl)pyridine-3-sulfonamide
CID 64607451
N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide
CID 15741049
2,5-dichloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 5157232
5,6-dichloro-N-(5-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 64687580
5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 103930794
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-nitrobenzenesulfonamide
CID 60783868
5,6-dichloropyridine-3-sulfonyl chloride
CID 4736911

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide (CID 64607449) is 5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide is O=[N+]([O-])c1cnc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)s1.
What is the InChIKey of 5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is CSTGPURCINNMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N4O4S2/c9-5-1-4(2-11-7(5)10)20(17,18)13-8-12-3-6(19-8)14(15)16/h1-3H,(H,12,13).
What are the key properties of 5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 355.18 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 64607449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).