N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide

C19H24F2N4O3S — CID 133355169

IUPACN-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide
SMILESCC(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)C(C)N1CCOCC1
InChIInChI=1S/C19H24F2N4O3S/c1-13(14(2)25-7-9-28-10-8-25)23-19-6-4-16(12-22-19)29(26,27)24-15-3-5-17(20)18(21)11-15/h3-6,11-14,24H,7-10H2,1-2H3,(H,22,23)
InChIKeyCQKDTDGFUZWKNR-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.68
Rot. Bonds7

About N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide (PubChem CID 133355169) has the molecular formula C19H24F2N4O3S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide
PubChem CID133355169
Molecular FormulaC19H24F2N4O3S
Molecular Weight426.49 g/mol
Exact Mass426.15
IUPAC NameN-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide
SMILESCC(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)C(C)N1CCOCC1
InChIInChI=1S/C19H24F2N4O3S/c1-13(14(2)25-7-9-28-10-8-25)23-19-6-4-16(12-22-19)29(26,27)24-15-3-5-17(20)18(21)11-15/h3-6,11-14,24H,7-10H2,1-2H3,(H,22,23)
InChIKeyCQKDTDGFUZWKNR-UHFFFAOYSA-N
XLogP2.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-6-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-3-sulfonamide
CID 133480767
N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide
CID 133355206
N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide
CID 133359425
N-[1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 84929926
N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide
CID 133390354
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133355153
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide
CID 133345839
6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
CID 133454088
N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide
CID 133354555
N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
CID 133338926
N-(3,4-difluorophenyl)-6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)pyridine-3-sulfonamide
CID 133382878
N-(3,4-difluorophenyl)-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 133359164

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide (CID 133355169) is N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide is CC(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)C(C)N1CCOCC1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide?
The InChIKey is CQKDTDGFUZWKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O3S/c1-13(14(2)25-7-9-28-10-8-25)23-19-6-4-16(12-22-19)29(26,27)24-15-3-5-17(20)18(21)11-15/h3-6,11-14,24H,7-10H2,1-2H3,(H,22,23).
What are the key properties of N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide has a molecular weight of 426.49 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 133355169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).