N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide

C19H19F3N4O4S — CID 170733625

IUPACN-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide
SMILESCOc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cccc2nc(N(C)C)ccc12
InChIInChI=1S/C19H19F3N4O4S/c1-26(2)17-8-7-11-13(23-17)5-4-6-15(11)31(27,28)25-14-9-12(20)18(24-19(14)29-3)30-10-16(21)22/h4-9,16,25H,10H2,1-3H3
InChIKeyVTPJRSYBYUKQGJ-UHFFFAOYSA-N
MW456.45 g/mol
LogP3.29
Rot. Bonds8

About N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide

N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide (PubChem CID 170733625) has the molecular formula C19H19F3N4O4S and a molecular weight of 456.45 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide
PubChem CID170733625
Molecular FormulaC19H19F3N4O4S
Molecular Weight456.45 g/mol
Exact Mass456.11
IUPAC NameN-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide
SMILESCOc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cccc2nc(N(C)C)ccc12
InChIInChI=1S/C19H19F3N4O4S/c1-26(2)17-8-7-11-13(23-17)5-4-6-15(11)31(27,28)25-14-9-12(20)18(24-19(14)29-3)30-10-16(21)22/h4-9,16,25H,10H2,1-3H3
InChIKeyVTPJRSYBYUKQGJ-UHFFFAOYSA-N
XLogP3.29
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide
CID 170733613
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-ethyl-1-oxoisoquinoline-5-sulfonamide
CID 170733305
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide
CID 146278092
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide
CID 170733296
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-3-sulfonamide
CID 170733404
N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-methyl-1-oxoisoquinoline-5-sulfonamide
CID 170733332
6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 146278088
N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-6-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 150820961
8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide
CID 170733496
6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
CID 146278102
1-(benzenesulfonyl)-6-chloro-N-[5-fluoro-6-(1-fluoroethoxy)-2-methoxy-3-pyridinyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 155429097
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 170733443

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide?
The IUPAC name of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide (CID 170733625) is N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide.
What is the SMILES notation for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide?
The canonical SMILES for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide is COc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cccc2nc(N(C)C)ccc12.
What is the InChIKey of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide?
The InChIKey is VTPJRSYBYUKQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O4S/c1-26(2)17-8-7-11-13(23-17)5-4-6-15(11)31(27,28)25-14-9-12(20)18(24-19(14)29-3)30-10-16(21)22/h4-9,16,25H,10H2,1-3H3.
What are the key properties of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide?
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide has a molecular weight of 456.45 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide is sourced from PubChem (CID 170733625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).