4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine

C19H25F2N3O2S — CID 11582053

IUPAC4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine
SMILESCCN(CC)c1nc(F)c(N(CC)CC)c(S(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C19H25F2N3O2S/c1-5-23(6-2)16-17(27(25,26)14-12-10-9-11-13-14)15(20)19(22-18(16)21)24(7-3)8-4/h9-13H,5-8H2,1-4H3
InChIKeyZVVXVPKGIVEGKT-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.88
Rot. Bonds8

About 4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine

4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine (PubChem CID 11582053) has the molecular formula C19H25F2N3O2S and a molecular weight of 397.49 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine
PubChem CID11582053
Molecular FormulaC19H25F2N3O2S
Molecular Weight397.49 g/mol
Exact Mass397.16
IUPAC Name4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine
SMILESCCN(CC)c1nc(F)c(N(CC)CC)c(S(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C19H25F2N3O2S/c1-5-23(6-2)16-17(27(25,26)14-12-10-9-11-13-14)15(20)19(22-18(16)21)24(7-3)8-4/h9-13H,5-8H2,1-4H3
InChIKeyZVVXVPKGIVEGKT-UHFFFAOYSA-N
XLogP3.88
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine?
The IUPAC name of 4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine (CID 11582053) is 4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine?
The canonical SMILES for 4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine is CCN(CC)c1nc(F)c(N(CC)CC)c(S(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of 4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine?
The InChIKey is ZVVXVPKGIVEGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2S/c1-5-23(6-2)16-17(27(25,26)14-12-10-9-11-13-14)15(20)19(22-18(16)21)24(7-3)8-4/h9-13H,5-8H2,1-4H3.
What are the key properties of 4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine?
4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine has a molecular weight of 397.49 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-N,2-N,5-N,5-N-tetraethyl-3,6-difluoropyridine-2,5-diamine is sourced from PubChem (CID 11582053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).