3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide

C12H10F2N2O2S — CID 2473445

IUPAC3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O2S/c13-11-2-1-10(7-12(11)14)19(17,18)16-8-9-3-5-15-6-4-9/h1-7,16H,8H2
InChIKeyBMPWOBNXZUHLQC-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.84
Rot. Bonds4

About 3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide

3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 2473445) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID2473445
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O2S/c13-11-2-1-10(7-12(11)14)19(17,18)16-8-9-3-5-15-6-4-9/h1-7,16H,8H2
InChIKeyBMPWOBNXZUHLQC-UHFFFAOYSA-N
XLogP1.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 2473445) is 3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccncc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is BMPWOBNXZUHLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c13-11-2-1-10(7-12(11)14)19(17,18)16-8-9-3-5-15-6-4-9/h1-7,16H,8H2.
What are the key properties of 3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 284.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2473445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).