6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide

C17H14ClN3O2S — CID 118234704

IUPAC6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ncc2ccccc2c1C1CC1)c1ccc(Cl)nc1
InChIInChI=1S/C17H14ClN3O2S/c18-15-8-7-13(10-19-15)24(22,23)21-17-16(11-5-6-11)14-4-2-1-3-12(14)9-20-17/h1-4,7-11H,5-6H2,(H,20,21)
InChIKeyJIPULPWYWKQHCS-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.96
Rot. Bonds4

About 6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide

6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide (PubChem CID 118234704) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide
PubChem CID118234704
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ncc2ccccc2c1C1CC1)c1ccc(Cl)nc1
InChIInChI=1S/C17H14ClN3O2S/c18-15-8-7-13(10-19-15)24(22,23)21-17-16(11-5-6-11)14-4-2-1-3-12(14)9-20-17/h1-4,7-11H,5-6H2,(H,20,21)
InChIKeyJIPULPWYWKQHCS-UHFFFAOYSA-N
XLogP3.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide (CID 118234704) is 6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1ncc2ccccc2c1C1CC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide?
The InChIKey is JIPULPWYWKQHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c18-15-8-7-13(10-19-15)24(22,23)21-17-16(11-5-6-11)14-4-2-1-3-12(14)9-20-17/h1-4,7-11H,5-6H2,(H,20,21).
What are the key properties of 6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide?
6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide has a molecular weight of 359.84 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-cyclopropylisoquinolin-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 118234704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).