3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide

C12H9ClF2N2O2S — CID 103098192

IUPAC3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C12H9ClF2N2O2S/c1-7-8(13)3-2-4-10(7)20(18,19)17-9-5-6-11(14)16-12(9)15/h2-6,17H,1H3
InChIKeyBFKNVWIJMKFQSG-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.12
Rot. Bonds3

About 3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide

3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide (PubChem CID 103098192) has the molecular formula C12H9ClF2N2O2S and a molecular weight of 318.73 g/mol. Its IUPAC name is 3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
PubChem CID103098192
Molecular FormulaC12H9ClF2N2O2S
Molecular Weight318.73 g/mol
Exact Mass318.00
IUPAC Name3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C12H9ClF2N2O2S/c1-7-8(13)3-2-4-10(7)20(18,19)17-9-5-6-11(14)16-12(9)15/h2-6,17H,1H3
InChIKeyBFKNVWIJMKFQSG-UHFFFAOYSA-N
XLogP3.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
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

2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
CID 103098259
2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide
CID 103098234
2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide
CID 106598901
N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 103098110
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
methyl 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 87026690
3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide
CID 143906895
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 115698055
3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide
CID 10237732
3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide
CID 11702579
3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540546

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide (CID 103098192) is 3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(F)nc1F.
What is the InChIKey of 3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide?
The InChIKey is BFKNVWIJMKFQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2S/c1-7-8(13)3-2-4-10(7)20(18,19)17-9-5-6-11(14)16-12(9)15/h2-6,17H,1H3.
What are the key properties of 3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide?
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide has a molecular weight of 318.73 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 103098192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).