N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide

C7H8F2N2O4S2 — CID 103098172

IUPACN-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C7H8F2N2O4S2/c1-16(12,13)4-17(14,15)11-5-2-3-6(8)10-7(5)9/h2-3,11H,4H2,1H3
InChIKeyJZQSVYHDCKUREV-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.10
Rot. Bonds4

About N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide

N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide (PubChem CID 103098172) has the molecular formula C7H8F2N2O4S2 and a molecular weight of 286.28 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide
PubChem CID103098172
Molecular FormulaC7H8F2N2O4S2
Molecular Weight286.28 g/mol
Exact Mass285.99
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C7H8F2N2O4S2/c1-16(12,13)4-17(14,15)11-5-2-3-6(8)10-7(5)9/h2-3,11H,4H2,1H3
InChIKeyJZQSVYHDCKUREV-UHFFFAOYSA-N
XLogP0.10
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-difluoro-3-pyridinyl)methanesulfonamide
CID 103098097
2-bromo-N-(2,6-difluoro-3-pyridinyl)benzenesulfonamide
CID 103098234
N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide
CID 82843139
N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 103098114
1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide
CID 103098247
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
CID 103098259
N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
CID 103098191
N-(2,6-difluoro-3-pyridinyl)piperidine-1-sulfonamide
CID 103098209
N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 103098110
N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide
CID 82842049
3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide
CID 82843552

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide (CID 103098172) is N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is JZQSVYHDCKUREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O4S2/c1-16(12,13)4-17(14,15)11-5-2-3-6(8)10-7(5)9/h2-3,11H,4H2,1H3.
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide?
N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 286.28 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 103098172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).