N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide

C19H24FN3O3S — CID 51327989

IUPACN,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)n2cccc/c2=N\C(C)C)ccc1F
InChIInChI=1S/C19H24FN3O3S/c1-5-22(6-2)27(25,26)17-13-15(10-11-16(17)20)19(24)23-12-8-7-9-18(23)21-14(3)4/h7-14H,5-6H2,1-4H3/b21-18+
InChIKeyPZDWCHJRBSQYFR-DYTRJAOYSA-N
MW393.48 g/mol
LogP2.66
Rot. Bonds6

About N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide

N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide (PubChem CID 51327989) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
PubChem CID51327989
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC NameN,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)n2cccc/c2=N\C(C)C)ccc1F
InChIInChI=1S/C19H24FN3O3S/c1-5-22(6-2)27(25,26)17-13-15(10-11-16(17)20)19(24)23-12-8-7-9-18(23)21-14(3)4/h7-14H,5-6H2,1-4H3/b21-18+
InChIKeyPZDWCHJRBSQYFR-DYTRJAOYSA-N
XLogP2.66
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide (CID 51327989) is N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)n2cccc/c2=N\C(C)C)ccc1F.
What is the InChIKey of N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The InChIKey is PZDWCHJRBSQYFR-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-5-22(6-2)27(25,26)17-13-15(10-11-16(17)20)19(24)23-12-8-7-9-18(23)21-14(3)4/h7-14H,5-6H2,1-4H3/b21-18+.
What are the key properties of N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide has a molecular weight of 393.48 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 51327989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).