6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide

C17H22FN3O2S — CID 5267884

IUPAC6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C17H22FN3O2S/c1-12(2)21(13(3)4)24(22,23)16-9-10-17(19-11-16)20-15-7-5-14(18)6-8-15/h5-13H,1-4H3,(H,19,20)
InChIKeyAJUWOSMSUUEYOR-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.77
Rot. Bonds6

About 6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide

6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide (PubChem CID 5267884) has the molecular formula C17H22FN3O2S and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
PubChem CID5267884
Molecular FormulaC17H22FN3O2S
Molecular Weight351.45 g/mol
Exact Mass351.14
IUPAC Name6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C17H22FN3O2S/c1-12(2)21(13(3)4)24(22,23)16-9-10-17(19-11-16)20-15-7-5-14(18)6-8-15/h5-13H,1-4H3,(H,19,20)
InChIKeyAJUWOSMSUUEYOR-UHFFFAOYSA-N
XLogP3.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide (CID 5267884) is 6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide is CC(C)N(C(C)C)S(=O)(=O)c1ccc(Nc2ccc(F)cc2)nc1.
What is the InChIKey of 6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The InChIKey is AJUWOSMSUUEYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2S/c1-12(2)21(13(3)4)24(22,23)16-9-10-17(19-11-16)20-15-7-5-14(18)6-8-15/h5-13H,1-4H3,(H,19,20).
What are the key properties of 6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide has a molecular weight of 351.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 5267884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).