N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide

C11H7ClFN3O4S — CID 104821758

IUPACN-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccn2)c1
InChIInChI=1S/C11H7ClFN3O4S/c12-7-3-4-14-11(5-7)15-21(19,20)10-6-8(16(17)18)1-2-9(10)13/h1-6H,(H,14,15)
InChIKeyJBXRBWHJALERFJ-UHFFFAOYSA-N
MW331.71 g/mol
LogP2.58
Rot. Bonds4

About N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide

N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide (PubChem CID 104821758) has the molecular formula C11H7ClFN3O4S and a molecular weight of 331.71 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide
PubChem CID104821758
Molecular FormulaC11H7ClFN3O4S
Molecular Weight331.71 g/mol
Exact Mass330.98
IUPAC NameN-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccn2)c1
InChIInChI=1S/C11H7ClFN3O4S/c12-7-3-4-14-11(5-7)15-21(19,20)10-6-8(16(17)18)1-2-9(10)13/h1-6H,(H,14,15)
InChIKeyJBXRBWHJALERFJ-UHFFFAOYSA-N
XLogP2.58
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.71
LogP ≤ 52.58
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

2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 115687701
N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115687638
N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 104821779
N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide
CID 102671865
N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide
CID 102990213
2-chloro-N-(4-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 113251215
2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide
CID 104821583
2-fluoro-5-nitrobenzenesulfonic acid;hydrochloride
CID 174777146
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75456857
N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 115627296
N-(1,3-dihydroxypropan-2-yl)-2-fluoro-5-nitrobenzenesulfonamide
CID 65314454

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide (CID 104821758) is N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccn2)c1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide?
The InChIKey is JBXRBWHJALERFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O4S/c12-7-3-4-14-11(5-7)15-21(19,20)10-6-8(16(17)18)1-2-9(10)13/h1-6H,(H,14,15).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide?
N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide has a molecular weight of 331.71 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide is sourced from PubChem (CID 104821758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).