N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide

C19H18F2N4O3S — CID 133338957

IUPACN-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide
SMILESCc1cc(C)c(CNc2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)c(=O)[nH]1
InChIInChI=1S/C19H18F2N4O3S/c1-11-7-12(2)24-19(26)15(11)10-23-18-6-4-14(9-22-18)29(27,28)25-13-3-5-16(20)17(21)8-13/h3-9,25H,10H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyPZKLUKQWUISDMU-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.08
Rot. Bonds6

About N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide (PubChem CID 133338957) has the molecular formula C19H18F2N4O3S and a molecular weight of 420.44 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide
PubChem CID133338957
Molecular FormulaC19H18F2N4O3S
Molecular Weight420.44 g/mol
Exact Mass420.11
IUPAC NameN-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide
SMILESCc1cc(C)c(CNc2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)c(=O)[nH]1
InChIInChI=1S/C19H18F2N4O3S/c1-11-7-12(2)24-19(26)15(11)10-23-18-6-4-14(9-22-18)29(27,28)25-13-3-5-16(20)17(21)8-13/h3-9,25H,10H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyPZKLUKQWUISDMU-UHFFFAOYSA-N
XLogP3.08
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133355153
N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide
CID 133445569
N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
CID 133338926
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-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528
N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144412
N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide
CID 133496593
N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113011508
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
6-(ethylamino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
CID 62145209
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide (CID 133338957) is N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide is Cc1cc(C)c(CNc2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)c(=O)[nH]1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide?
The InChIKey is PZKLUKQWUISDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3S/c1-11-7-12(2)24-19(26)15(11)10-23-18-6-4-14(9-22-18)29(27,28)25-13-3-5-16(20)17(21)8-13/h3-9,25H,10H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide has a molecular weight of 420.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133338957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).