N-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide

C13H12ClFN2O2S — CID 103744874

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2ccc(F)cc2)cnc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c1-9-6-12(7-16-13(9)14)17-20(18,19)8-10-2-4-11(15)5-3-10/h2-7,17H,8H2,1H3
InChIKeyYYQSWSNWYNRBEE-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.12
Rot. Bonds4

About N-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide

N-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 103744874) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID103744874
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2ccc(F)cc2)cnc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c1-9-6-12(7-16-13(9)14)17-20(18,19)8-10-2-4-11(15)5-3-10/h2-7,17H,8H2,1H3
InChIKeyYYQSWSNWYNRBEE-UHFFFAOYSA-N
XLogP3.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.12
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-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
CID 25266674
Benzenesulfonamide, 2,4-dichloro-3-methyl-N-(3-pyridyl)-
CID 534146
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 2738376
6-chloro-N-(2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729873
3-Pyridyl{[3-(trifluoromethyl)phenyl]sulfonyl}amine
CID 697901
N-(2-chloro-5-pyridin-3-yl-3-pyridinyl)benzenesulfonamide
CID 87570551
6-chloro-N-(2-fluorophenyl)pyridine-3-sulfonamide
CID 2683449
1-phenyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 669272
N-benzyl-6-chloro-N-methyl-3-pyridinesulfonamide
CID 830476
4-chloro-N-3-pyridinyl-3-(trifluoromethyl)benzenesulfonamide
CID 889815
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide
CID 3239247

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide (CID 103744874) is N-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide is Cc1cc(NS(=O)(=O)Cc2ccc(F)cc2)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is YYQSWSNWYNRBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-9-6-12(7-16-13(9)14)17-20(18,19)8-10-2-4-11(15)5-3-10/h2-7,17H,8H2,1H3.
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide?
N-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 103744874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).