6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide

C18H14ClF3N2O4S — CID 170733613

IUPAC6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide
SMILESCOc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cccc2cc(Cl)ccc12
InChIInChI=1S/C18H14ClF3N2O4S/c1-27-18-14(8-13(20)17(23-18)28-9-16(21)22)24-29(25,26)15-4-2-3-10-7-11(19)5-6-12(10)15/h2-8,16,24H,9H2,1H3
InChIKeyZWVKFKVYHBFLCJ-UHFFFAOYSA-N
MW446.83 g/mol
LogP4.48
Rot. Bonds7

About 6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide

6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide (PubChem CID 170733613) has the molecular formula C18H14ClF3N2O4S and a molecular weight of 446.83 g/mol. Its IUPAC name is 6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide
PubChem CID170733613
Molecular FormulaC18H14ClF3N2O4S
Molecular Weight446.83 g/mol
Exact Mass446.03
IUPAC Name6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide
SMILESCOc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cccc2cc(Cl)ccc12
InChIInChI=1S/C18H14ClF3N2O4S/c1-27-18-14(8-13(20)17(23-18)28-9-16(21)22)24-29(25,26)15-4-2-3-10-7-11(19)5-6-12(10)15/h2-8,16,24H,9H2,1H3
InChIKeyZWVKFKVYHBFLCJ-UHFFFAOYSA-N
XLogP4.48
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.83
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide
CID 170733625
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
6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
CID 146278102
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
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-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-methyl-1-oxoisoquinoline-5-sulfonamide
CID 170733332
6-chloro-N-[5-(2,2-difluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 169225639
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
1-(benzenesulfonyl)-6-chloro-N-[5-fluoro-6-(1-fluoroethoxy)-2-methoxy-3-pyridinyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 155429097
8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide
CID 170733496
N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-6-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 150820961

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide?
The IUPAC name of 6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide (CID 170733613) is 6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide?
The canonical SMILES for 6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide is COc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cccc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide?
The InChIKey is ZWVKFKVYHBFLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O4S/c1-27-18-14(8-13(20)17(23-18)28-9-16(21)22)24-29(25,26)15-4-2-3-10-7-11(19)5-6-12(10)15/h2-8,16,24H,9H2,1H3.
What are the key properties of 6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide?
6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide has a molecular weight of 446.83 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 170733613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).