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

C11H7ClFN3O4S — CID 104821779

IUPACN-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C11H7ClFN3O4S/c12-7-3-4-14-11(5-7)15-21(19,20)10-2-1-8(13)6-9(10)16(17)18/h1-6H,(H,14,15)
InChIKeyVJWKNQWRJLKZBY-UHFFFAOYSA-N
MW331.71 g/mol
LogP2.58
Rot. Bonds4

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

N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide (PubChem CID 104821779) has the molecular formula C11H7ClFN3O4S and a molecular weight of 331.71 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide
PubChem CID104821779
Molecular FormulaC11H7ClFN3O4S
Molecular Weight331.71 g/mol
Exact Mass330.98
IUPAC NameN-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C11H7ClFN3O4S/c12-7-3-4-14-11(5-7)15-21(19,20)10-2-1-8(13)6-9(10)16(17)18/h1-6H,(H,14,15)
InChIKeyVJWKNQWRJLKZBY-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-fluorobenzenesulfonamide
CID 113251215
N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide
CID 104821758
N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115687638
2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 115687701
N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 17405978
N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75456857
N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 26951674
N-(3-chloropropyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 43246366
4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 43502076
4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 62144754
N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43520687
N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide
CID 102671865

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide (CID 104821779) is N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide?
The InChIKey is VJWKNQWRJLKZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O4S/c12-7-3-4-14-11(5-7)15-21(19,20)10-2-1-8(13)6-9(10)16(17)18/h1-6H,(H,14,15).
What are the key properties of N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide?
N-(4-chloro-2-pyridinyl)-4-fluoro-2-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)-4-fluoro-2-nitrobenzenesulfonamide is sourced from PubChem (CID 104821779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).