6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide

C31H23Cl3F3N7O7S2 — CID 159754994

IUPAC6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(Cl)ccc23)c(F)cc1CC#N.COc1nc(NS(=O)(=O)c2c[nH]c3c(OC)c(Cl)ccc23)c(F)cc1Cl
InChIInChI=1S/C16H11ClF2N4O3S.C15H12Cl2FN3O4S/c1-26-16-8(4-5-20)6-11(18)15(22-16)23-27(24,25)12-7-21-14-9(12)2-3-10(17)13(14)19;1-24-13-8(16)4-3-7-11(6-19-12(7)13)26(22,23)21-14-10(18)5-9(17)15(20-14)25-2/h2-3,6-7,21H,4H2,1H3,(H,22,23);3-6,19H,1-2H3,(H,20,21)
InChIKeyNEDJZCHIVOMQPI-UHFFFAOYSA-N
MW833.05 g/mol
LogP7.20
Rot. Bonds10

About 6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide

6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide (PubChem CID 159754994) has the molecular formula C31H23Cl3F3N7O7S2 and a molecular weight of 833.05 g/mol. Its IUPAC name is 6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide
PubChem CID159754994
Molecular FormulaC31H23Cl3F3N7O7S2
Molecular Weight833.05 g/mol
Exact Mass831.01
IUPAC Name6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(Cl)ccc23)c(F)cc1CC#N.COc1nc(NS(=O)(=O)c2c[nH]c3c(OC)c(Cl)ccc23)c(F)cc1Cl
InChIInChI=1S/C16H11ClF2N4O3S.C15H12Cl2FN3O4S/c1-26-16-8(4-5-20)6-11(18)15(22-16)23-27(24,25)12-7-21-14-9(12)2-3-10(17)13(14)19;1-24-13-8(16)4-3-7-11(6-19-12(7)13)26(22,23)21-14-10(18)5-9(17)15(20-14)25-2/h2-3,6-7,21H,4H2,1H3,(H,22,23);3-6,19H,1-2H3,(H,20,21)
InChIKeyNEDJZCHIVOMQPI-UHFFFAOYSA-N
XLogP7.20
TPSA201.18 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.05
LogP ≤ 57.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide (CID 159754994) is 6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(Cl)ccc23)c(F)cc1CC#N.COc1nc(NS(=O)(=O)c2c[nH]c3c(OC)c(Cl)ccc23)c(F)cc1Cl.
What is the InChIKey of 6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide?
The InChIKey is NEDJZCHIVOMQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O3S.C15H12Cl2FN3O4S/c1-26-16-8(4-5-20)6-11(18)15(22-16)23-27(24,25)12-7-21-14-9(12)2-3-10(17)13(14)19;1-24-13-8(16)4-3-7-11(6-19-12(7)13)26(22,23)21-14-10(18)5-9(17)15(20-14)25-2/h2-3,6-7,21H,4H2,1H3,(H,22,23);3-6,19H,1-2H3,(H,20,21).
What are the key properties of 6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide?
6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide has a molecular weight of 833.05 g/mol, XLogP of 7.20, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-chloro-3-fluoro-6-methoxy-2-pyridinyl)-7-methoxy-1H-indole-3-sulfonamide;6-chloro-N-[5-(cyanomethyl)-3-fluoro-6-methoxy-2-pyridinyl]-7-fluoro-1H-indole-3-sulfonamide is sourced from PubChem (CID 159754994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).