6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide

C16H14ClF2N3O4S — CID 146278102

IUPAC6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
SMILESCOc1nc(OCCF)c(F)cc1NS(=O)(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H14ClF2N3O4S/c1-25-16-13(7-11(19)15(21-16)26-5-4-18)22-27(23,24)14-8-20-12-6-9(17)2-3-10(12)14/h2-3,6-8,20,22H,4-5H2,1H3
InChIKeyXJRBMKGHHIXBAE-UHFFFAOYSA-N
MW417.82 g/mol
LogP3.51
Rot. Bonds7

About 6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide

6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide (PubChem CID 146278102) has the molecular formula C16H14ClF2N3O4S and a molecular weight of 417.82 g/mol. Its IUPAC name is 6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
PubChem CID146278102
Molecular FormulaC16H14ClF2N3O4S
Molecular Weight417.82 g/mol
Exact Mass417.04
IUPAC Name6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
SMILESCOc1nc(OCCF)c(F)cc1NS(=O)(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H14ClF2N3O4S/c1-25-16-13(7-11(19)15(21-16)26-5-4-18)22-27(23,24)14-8-20-12-6-9(17)2-3-10(12)14/h2-3,6-8,20,22H,4-5H2,1H3
InChIKeyXJRBMKGHHIXBAE-UHFFFAOYSA-N
XLogP3.51
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.82
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide with MolForge

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Related Compounds

6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907990
6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 146278088
6-chloro-N-[5-(3-fluoropropoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164908450
N-(5-bromo-4-methoxypyrimidin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 169225707
N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-6-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 150820961
6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 175471124
6-chloro-N-[5-(2,2-difluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 169225639
N-[5-bromo-4-(1,1-difluoroethyl)-6-methoxypyrimidin-2-yl]-6-chloro-1H-indole-3-sulfonamide
CID 164908387
6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 170682438
6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide
CID 170733613
6-chloro-N-(4-ethyl-6-methoxy-5-methylpyrimidin-2-yl)-1H-indole-3-sulfonamide
CID 164907841
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide (CID 146278102) is 6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide is COc1nc(OCCF)c(F)cc1NS(=O)(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide?
The InChIKey is XJRBMKGHHIXBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N3O4S/c1-25-16-13(7-11(19)15(21-16)26-5-4-18)22-27(23,24)14-8-20-12-6-9(17)2-3-10(12)14/h2-3,6-8,20,22H,4-5H2,1H3.
What are the key properties of 6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide?
6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide has a molecular weight of 417.82 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 146278102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).