5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide

C6H4ClF2N3O4S — CID 134685598

IUPAC5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncc(Cl)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C6H4ClF2N3O4S/c7-2-1-11-6(17(10,15)16)4(12(13)14)3(2)5(8)9/h1,5H,(H2,10,15,16)
InChIKeyZTNJJRKRNDOAKV-UHFFFAOYSA-N
MW287.63 g/mol
LogP1.23
Rot. Bonds3

About 5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide

5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide (PubChem CID 134685598) has the molecular formula C6H4ClF2N3O4S and a molecular weight of 287.63 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide
PubChem CID134685598
Molecular FormulaC6H4ClF2N3O4S
Molecular Weight287.63 g/mol
Exact Mass286.96
IUPAC Name5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncc(Cl)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C6H4ClF2N3O4S/c7-2-1-11-6(17(10,15)16)4(12(13)14)3(2)5(8)9/h1,5H,(H2,10,15,16)
InChIKeyZTNJJRKRNDOAKV-UHFFFAOYSA-N
XLogP1.23
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.63
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide
CID 118801115
3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338
5-chloro-3-(difluoromethyl)-4-fluoropyridine-2-sulfonamide
CID 134674493
3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide
CID 133104372
5-chloro-4-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
CID 134669618
3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide
CID 133087554
4-chloro-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide
CID 118810599
2-amino-5-chloro-4-(difluoromethyl)pyridine-3-sulfonamide
CID 119021143
[5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130074796
5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
CID 130072158
3-(difluoromethyl)-4,5-difluoropyridine-2-sulfonamide
CID 118840960
5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130073070

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide?
The IUPAC name of 5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide (CID 134685598) is 5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide is NS(=O)(=O)c1ncc(Cl)c(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide?
The InChIKey is ZTNJJRKRNDOAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2N3O4S/c7-2-1-11-6(17(10,15)16)4(12(13)14)3(2)5(8)9/h1,5H,(H2,10,15,16).
What are the key properties of 5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide?
5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide has a molecular weight of 287.63 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide is sourced from PubChem (CID 134685598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).