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

C14H10ClF2N3O3S — CID 135187111

IUPAC6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)c(F)cc1F
InChIInChI=1S/C14H10ClF2N3O3S/c1-23-14-10(17)5-9(16)13(19-14)20-24(21,22)12-6-18-11-4-7(15)2-3-8(11)12/h2-6,18H,1H3,(H,19,20)
InChIKeyGFNLKMKXKHUZQK-UHFFFAOYSA-N
MW373.77 g/mol
LogP3.30
Rot. Bonds4

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

6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-1H-indole-3-sulfonamide (PubChem CID 135187111) has the molecular formula C14H10ClF2N3O3S and a molecular weight of 373.77 g/mol. Its IUPAC name is 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-1H-indole-3-sulfonamide
PubChem CID135187111
Molecular FormulaC14H10ClF2N3O3S
Molecular Weight373.77 g/mol
Exact Mass373.01
IUPAC Name6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)c(F)cc1F
InChIInChI=1S/C14H10ClF2N3O3S/c1-23-14-10(17)5-9(16)13(19-14)20-24(21,22)12-6-18-11-4-7(15)2-3-8(11)12/h2-6,18H,1H3,(H,19,20)
InChIKeyGFNLKMKXKHUZQK-UHFFFAOYSA-N
XLogP3.30
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 53.30
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)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-1H-indole-3-sulfonamide (CID 135187111) is 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)c(F)cc1F.
What is the InChIKey of 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-1H-indole-3-sulfonamide?
The InChIKey is GFNLKMKXKHUZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3O3S/c1-23-14-10(17)5-9(16)13(19-14)20-24(21,22)12-6-18-11-4-7(15)2-3-8(11)12/h2-6,18H,1H3,(H,19,20).
What are the key properties of 6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-1H-indole-3-sulfonamide?
6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-1H-indole-3-sulfonamide has a molecular weight of 373.77 g/mol, XLogP of 3.30, 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)-1H-indole-3-sulfonamide is sourced from PubChem (CID 135187111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).