N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide

C20H27FN4O4S2 — CID 118526850

IUPACN-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide
SMILESCC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(NCC2CN(S(C)(=O)=O)C2)nc1
InChIInChI=1S/C20H27FN4O4S2/c1-15(2)12-25(18-6-4-17(21)5-7-18)31(28,29)19-8-9-20(23-11-19)22-10-16-13-24(14-16)30(3,26)27/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,22,23)
InChIKeyDKXZVTCTRDGJHG-UHFFFAOYSA-N
MW470.59 g/mol
LogP2.38
Rot. Bonds9

About N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide

N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide (PubChem CID 118526850) has the molecular formula C20H27FN4O4S2 and a molecular weight of 470.59 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide
PubChem CID118526850
Molecular FormulaC20H27FN4O4S2
Molecular Weight470.59 g/mol
Exact Mass470.15
IUPAC NameN-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide
SMILESCC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(NCC2CN(S(C)(=O)=O)C2)nc1
InChIInChI=1S/C20H27FN4O4S2/c1-15(2)12-25(18-6-4-17(21)5-7-18)31(28,29)19-8-9-20(23-11-19)22-10-16-13-24(14-16)30(3,26)27/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,22,23)
InChIKeyDKXZVTCTRDGJHG-UHFFFAOYSA-N
XLogP2.38
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-6-[(3-hydroxy-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 118526852
N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 118526949
N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 138798374
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 90221242
N-ethyl-6-[(4-methylmorpholin-2-yl)methylamino]-N-phenylpyridine-3-sulfonamide
CID 133280991
methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate
CID 126480845
N-(cyclopropylmethyl)-5-fluoropyridin-2-amine
CID 61313730
6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 5267884
6-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 62151361
N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143975
6-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2161417

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide (CID 118526850) is N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide is CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(NCC2CN(S(C)(=O)=O)C2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide?
The InChIKey is DKXZVTCTRDGJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O4S2/c1-15(2)12-25(18-6-4-17(21)5-7-18)31(28,29)19-8-9-20(23-11-19)22-10-16-13-24(14-16)30(3,26)27/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,22,23).
What are the key properties of N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide?
N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide has a molecular weight of 470.59 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 118526850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).