2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

C12H10F2N2O3S — CID 2414064

IUPAC2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C12H10F2N2O3S/c1-19-12-5-3-9(7-15-12)16-20(17,18)11-4-2-8(13)6-10(11)14/h2-7,16H,1H3
InChIKeySHUNUSWGHYOOST-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.17
Rot. Bonds4

About 2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 2414064) has the molecular formula C12H10F2N2O3S and a molecular weight of 300.29 g/mol. Its IUPAC name is 2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID2414064
Molecular FormulaC12H10F2N2O3S
Molecular Weight300.29 g/mol
Exact Mass300.04
IUPAC Name2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C12H10F2N2O3S/c1-19-12-5-3-9(7-15-12)16-20(17,18)11-4-2-8(13)6-10(11)14/h2-7,16H,1H3
InChIKeySHUNUSWGHYOOST-UHFFFAOYSA-N
XLogP2.17
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (CID 2414064) is 2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cn1.
What is the InChIKey of 2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is SHUNUSWGHYOOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3S/c1-19-12-5-3-9(7-15-12)16-20(17,18)11-4-2-8(13)6-10(11)14/h2-7,16H,1H3.
What are the key properties of 2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 300.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 2414064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).