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

C14H9ClF3N3O2S — CID 135187094

IUPAC6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)c2c[nH]c3c(F)c(Cl)ccc23)nc1F
InChIInChI=1S/C14H9ClF3N3O2S/c1-6-4-9(16)14(20-13(6)18)21-24(22,23)10-5-19-12-7(10)2-3-8(15)11(12)17/h2-5,19H,1H3,(H,20,21)
InChIKeyXAGDHIJIICHBFJ-UHFFFAOYSA-N
MW375.76 g/mol
LogP3.74
Rot. Bonds3

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

6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide (PubChem CID 135187094) has the molecular formula C14H9ClF3N3O2S and a molecular weight of 375.76 g/mol. Its IUPAC name is 6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide
PubChem CID135187094
Molecular FormulaC14H9ClF3N3O2S
Molecular Weight375.76 g/mol
Exact Mass375.01
IUPAC Name6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)c2c[nH]c3c(F)c(Cl)ccc23)nc1F
InChIInChI=1S/C14H9ClF3N3O2S/c1-6-4-9(16)14(20-13(6)18)21-24(22,23)10-5-19-12-7(10)2-3-8(15)11(12)17/h2-5,19H,1H3,(H,20,21)
InChIKeyXAGDHIJIICHBFJ-UHFFFAOYSA-N
XLogP3.74
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.76
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide (CID 135187094) is 6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide is Cc1cc(F)c(NS(=O)(=O)c2c[nH]c3c(F)c(Cl)ccc23)nc1F.
What is the InChIKey of 6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide?
The InChIKey is XAGDHIJIICHBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O2S/c1-6-4-9(16)14(20-13(6)18)21-24(22,23)10-5-19-12-7(10)2-3-8(15)11(12)17/h2-5,19H,1H3,(H,20,21).
What are the key properties of 6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide?
6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide has a molecular weight of 375.76 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide is sourced from PubChem (CID 135187094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).