N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide

C11H7ClFN3O4S — CID 115687638

IUPACN-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C11H7ClFN3O4S/c12-7-4-5-14-10(6-7)15-21(19,20)9-3-1-2-8(13)11(9)16(17)18/h1-6H,(H,14,15)
InChIKeyNMTVKEBHOUNBMP-UHFFFAOYSA-N
MW331.71 g/mol
LogP2.58
Rot. Bonds4

About N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide

N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide (PubChem CID 115687638) has the molecular formula C11H7ClFN3O4S and a molecular weight of 331.71 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide
PubChem CID115687638
Molecular FormulaC11H7ClFN3O4S
Molecular Weight331.71 g/mol
Exact Mass330.98
IUPAC NameN-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C11H7ClFN3O4S/c12-7-4-5-14-10(6-7)15-21(19,20)9-3-1-2-8(13)11(9)16(17)18/h1-6H,(H,14,15)
InChIKeyNMTVKEBHOUNBMP-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

N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide
CID 104821758
N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 104821779
N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115584203
2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 115687701
2-chloro-N-(4-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 113251215
3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide
CID 115584207
N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75456857
N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 115679391
3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 112694993
3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide
CID 91944057
3-amino-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 115993300
3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 47345276

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide (CID 115687638) is N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide is O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide?
The InChIKey is NMTVKEBHOUNBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O4S/c12-7-4-5-14-10(6-7)15-21(19,20)9-3-1-2-8(13)11(9)16(17)18/h1-6H,(H,14,15).
What are the key properties of N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide?
N-(4-chloro-2-pyridinyl)-3-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)-3-fluoro-2-nitrobenzenesulfonamide is sourced from PubChem (CID 115687638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).