5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine

C17H12F2N2O2S — CID 58961246

IUPAC5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine
SMILESO=S(=O)(c1ccccc1)c1ccc(Nc2c(F)cccc2F)nc1
InChIInChI=1S/C17H12F2N2O2S/c18-14-7-4-8-15(19)17(14)21-16-10-9-13(11-20-16)24(22,23)12-5-2-1-3-6-12/h1-11H,(H,20,21)
InChIKeyNSJDTZCLEKTHAW-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.94
Rot. Bonds4

About 5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine

5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine (PubChem CID 58961246) has the molecular formula C17H12F2N2O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine
PubChem CID58961246
Molecular FormulaC17H12F2N2O2S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine
SMILESO=S(=O)(c1ccccc1)c1ccc(Nc2c(F)cccc2F)nc1
InChIInChI=1S/C17H12F2N2O2S/c18-14-7-4-8-15(19)17(14)21-16-10-9-13(11-20-16)24(22,23)12-5-2-1-3-6-12/h1-11H,(H,20,21)
InChIKeyNSJDTZCLEKTHAW-UHFFFAOYSA-N
XLogP3.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine?
The IUPAC name of 5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine (CID 58961246) is 5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine?
The canonical SMILES for 5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine is O=S(=O)(c1ccccc1)c1ccc(Nc2c(F)cccc2F)nc1.
What is the InChIKey of 5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine?
The InChIKey is NSJDTZCLEKTHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2S/c18-14-7-4-8-15(19)17(14)21-16-10-9-13(11-20-16)24(22,23)12-5-2-1-3-6-12/h1-11H,(H,20,21).
What are the key properties of 5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine?
5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine has a molecular weight of 346.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine is sourced from PubChem (CID 58961246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).