6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide

C15H9ClF5N3O3S — CID 135201511

IUPAC6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(C(F)(F)F)c(Cl)ccc23)c(F)cc1F
InChIInChI=1S/C15H9ClF5N3O3S/c1-27-14-9(18)4-8(17)13(23-14)24-28(25,26)10-5-22-12-6(10)2-3-7(16)11(12)15(19,20)21/h2-5,22H,1H3,(H,23,24)
InChIKeyDBBHJAFWJIAZEX-UHFFFAOYSA-N
MW441.77 g/mol
LogP4.32
Rot. Bonds4

About 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide

6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide (PubChem CID 135201511) has the molecular formula C15H9ClF5N3O3S and a molecular weight of 441.77 g/mol. Its IUPAC name is 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide
PubChem CID135201511
Molecular FormulaC15H9ClF5N3O3S
Molecular Weight441.77 g/mol
Exact Mass441.00
IUPAC Name6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(C(F)(F)F)c(Cl)ccc23)c(F)cc1F
InChIInChI=1S/C15H9ClF5N3O3S/c1-27-14-9(18)4-8(17)13(23-14)24-28(25,26)10-5-22-12-6(10)2-3-7(16)11(12)15(19,20)21/h2-5,22H,1H3,(H,23,24)
InChIKeyDBBHJAFWJIAZEX-UHFFFAOYSA-N
XLogP4.32
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.77
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide (CID 135201511) is 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3c(C(F)(F)F)c(Cl)ccc23)c(F)cc1F.
What is the InChIKey of 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide?
The InChIKey is DBBHJAFWJIAZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF5N3O3S/c1-27-14-9(18)4-8(17)13(23-14)24-28(25,26)10-5-22-12-6(10)2-3-7(16)11(12)15(19,20)21/h2-5,22H,1H3,(H,23,24).
What are the key properties of 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide?
6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide has a molecular weight of 441.77 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 135201511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).