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

4-(4-Chloroanilino)-3-pyridinesulfonamide
CID 902007
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 2738376
6-chloro-N-(2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729873
4-Chloro-N-pyridin-4-yl-benzenesulfonamide
CID 674932
6-chloro-N-(2-fluorophenyl)pyridine-3-sulfonamide
CID 2683449
1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 743635
N-[4-(4-pyridinylmethyl)phenyl]-1-butanesulfonamide
CID 2227811
1-(((1E)-2-(4-Chlorophenyl)ethenyl)sulfonyl)-4-((1-(4-pyridinyl)-4-piperidinyl)methyl)piperazine
CID 446346
N-benzyl-6-chloro-N-methyl-3-pyridinesulfonamide
CID 830476
4-chloro-N-3-pyridinyl-3-(trifluoromethyl)benzenesulfonamide
CID 889815
6-chloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 9115009

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).