N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide

C12H10ClFN2O2S — CID 103944038

IUPACN-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H10ClFN2O2S/c13-12-7-11(5-6-15-12)16-19(17,18)8-9-1-3-10(14)4-2-9/h1-7H,8H2,(H,15,16)
InChIKeyNIHOXGFBGJGRDO-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.82
Rot. Bonds4

About N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide

N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 103944038) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID103944038
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC NameN-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H10ClFN2O2S/c13-12-7-11(5-6-15-12)16-19(17,18)8-9-1-3-10(14)4-2-9/h1-7H,8H2,(H,15,16)
InChIKeyNIHOXGFBGJGRDO-UHFFFAOYSA-N
XLogP2.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 116798756
1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide
CID 110872384
1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide
CID 86804588
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 110668658
N-(3-amino-4-methoxyphenyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43604676
1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide
CID 122302499
1-(4-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)methanesulfonamide
CID 110778103
1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115698303
3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid
CID 63260397
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
1-(4-fluorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 84512961

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide (CID 103944038) is N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)Nc1ccnc(Cl)c1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is NIHOXGFBGJGRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c13-12-7-11(5-6-15-12)16-19(17,18)8-9-1-3-10(14)4-2-9/h1-7H,8H2,(H,15,16).
What are the key properties of N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide?
N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 300.74 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 103944038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).